SCHEMBL1679236

SCHEMBL1679236

CCCC[CH]NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
EPHX2 P34913 4/20 0.44
FAAH O00519 2/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.39
IDO1 P14902 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10809223 0.93 EPHX2 (0.52) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL3374456 0.88 ADH1B (0.52) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL5985344 0.83 KCNH2 (0.47) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL5903273 0.83 EPHX2 (0.43) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL855606 0.81 EPHX2 (0.49) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL1527046 0.79 ADH1B (0.56) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL9500860 0.77 EPHX2 (0.55) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL8032761 0.76 ADH1B (0.52) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL11019155 0.75 TSHR (0.48) KDM4EMAPTMEN1KMT2A
SCHEMBL28944432 0.75 EPHX2 (0.57) ADH1BADH1CADH1AADH7EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606019-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS The University Court of The University of Aberdeen (GB) 2005-12-21 EP claimed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 WO claimed
EP-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP claimed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US claimed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP claimed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed
US-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders ABERDEEN, THE UNIVERSITY COURT OF THE UNIVERSITY OF (GB) 2006-08-03 US disclosed
EP-1606019-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS The University Court of The University of Aberdeen (GB) 2005-12-21 EP disclosed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A ADH1B 858/4885ADH1C 1107/4885ADH1A 535/4885
US-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders CNR2, CNR1, GPER1 ADH1B 3530/4885ADH1C 3350/4885ADH1A 3368/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 ADH1B 744/4885ADH1C 542/4885ADH1A 191/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 ADH1B 1076/4885ADH1C 1270/4885ADH1A 753/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ADH1B 926/4885ADH1C 511/4885ADH1A 412/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ADH1B 539/4885ADH1C 596/4885ADH1A 359/4885
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B ADH1B 3844/4885ADH1C 3919/4885ADH1A 3736/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 ADH1B 539/4885ADH1C 596/4885ADH1A 359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.