SCHEMBL7029327

SCHEMBL7029327

COc1ccc(OCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
APP P05067 3/20 0.47
IDO1 P14902 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11770355 0.86 NQO1 (0.47) APPTDP1TSHRMAOBKDM4E
SCHEMBL5824848 0.80 CA12 (0.52) CA1CA2CA7CA9CA12
SCHEMBL2414300 0.80 MAPT (0.56) CA1CA2CA7CA9CA12
SCHEMBL6690641 0.80 APP (0.53) CA1CA2CA7CA9CA12
SCHEMBL3084832 0.79 LMNA (0.48) ACHETDP1MAPTL3MBTL1NPSR1
SCHEMBL1148163 0.79 NQO1 (0.74) CA1CA2CA7CA9CA12
SCHEMBL5660131 0.78 MAPT (0.59) CA1CA2CA7CA9CA12
SCHEMBL1343630 0.78 CA12 (0.65) CA1CA2CA7CA9CA12
SCHEMBL10637391 0.78 CA1 (0.65) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA7CA9CA12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047939-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS PATHEON AUSTRIA GMBH & CO KG (AU) 2019-02-14 US disclosed
CN-109219612-A Prepare 17 (20)-alkene B- open loop steroids method and intermediate 帕西昂奥地利有限两合公司 2019-01-15 CN disclosed
EP-3423465-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS Patheon Austria GmbH & Co KG (AT) 2019-01-09 EP disclosed
WO-2017031209-A1 TUBULYSIN ANALOGS AND METHODS ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
US-20030181742-A1 Process for the preparation of pregnane derivatives KURARAY CO., LTD. (JP) 2003-09-25 US disclosed
EP-1325928-A1 PROCESS FOR THE PREPARATION OF PREGNANE DERIVATIVES Kuraray Co., Ltd. (JP) 2003-07-09 EP disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 WO disclosed
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4124765-A ANTITUMOR ONO PHARMACEUTICAL CO., LTD. (JP) 1978-11-07 US 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 (3 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-20190047939-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS CYP17A1, CYP46A1, HSD17B7 CA1 2901/4885CA2 3802/4885CA7 1682/4885
US-20030181742-A1 Process for the preparation of pregnane derivatives CYP21A2, CYP11B2, CYP17A1 CA1 295/4885CA2 385/4885CA7 335/4885
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 CA1 2839/4885CA2 2385/4885CA7 587/4885

“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.