SCHEMBL920894

SCHEMBL920894

CCCC[CH]OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
IDO1 P14902 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL562799 0.94 CETP (0.45) CETPTSHRALDH1A1CYP3A4MAPK1
SCHEMBL10736052 0.93 CETP (0.47) CETPMAPK1HTR2CSLC6A4KCNH2
SCHEMBL8338694 0.93 CETP (0.47) CETPMAPK1HTR2CSLC6A4KCNH2
SCHEMBL10733438 0.93 CETP (0.47) CETPMAPK1HTR2CSLC6A4KCNH2
SCHEMBL10731438 0.93 CETP (0.47) CETPMAPK1HTR2CSLC6A4KCNH2
SCHEMBL288563 0.88 TSHR (0.44) CETPTSHRALDH1A1CYP3A4MAPK1
SCHEMBL1068374 0.81 IDO1 (0.41) CETPTSHRALDH1A1CYP3A4MAPK1
SCHEMBL1068376 0.81 IDO1 (0.41) CETPTSHRALDH1A1CYP3A4MAPK1
SCHEMBL27645982 0.81 LTA4H (0.46) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL10791162 0.81 MAOA (0.45) TSHRIDO1SMN1; SMN2AGXT

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-4171304-A 2-Iodomethylpenams CONNLAB HOLDINGS LIMITED (CA) 1979-10-16 US 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-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-01-29 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
EP-3209641-A2 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR AND THE TREATEMENT OF DISEASE Lycera Corporation (US) 2017-08-30 EP disclosed
US-4668514-A Penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-05-26 US disclosed
US-4639447-A Azolylnitriles, and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
US-4598155-A 3(5-tetrazolyl)1,4-diaminoanthraquinones CIBA-GEIGY CORPORATION (US) 1986-07-01 US disclosed
EP-0079862-B1 1,4-DIAMINO-ANTHRAQUINONE COMPOUNDS CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
EP-0164088-A2 Azolyl nitriles and fungicides containing them BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed
EP-0138523-A1 Penicillin derivatives and process for preparing the same (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-04-24 EP disclosed
EP-0129798-A1 Fungicidal azole compounds, their preparation and use BASF Aktiengesellschaft (DE) 1985-01-02 EP disclosed
EP-0079862-A2 1,4-Diamino-anthraquinone compounds CIBA-GEIGY AG (CH) 1983-05-25 EP 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 (6 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 CETP 40/4885TSHR 2869/4885ALDH1A1 1103/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 CETP 207/4885TSHR 3054/4885ALDH1A1 787/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CETP 29/4885TSHR 2426/4885ALDH1A1 1061/4885
US-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORB, RORA CETP 3291/4885TSHR 549/4885ALDH1A1 681/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CETP 469/4885TSHR 1973/4885ALDH1A1 1582/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CETP 469/4885TSHR 1973/4885ALDH1A1 1582/4885

“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.