SCHEMBL4576353

SCHEMBL4576353

O=C(Cl)c1ccc(CF)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL667824 0.82 ALDH1A1 (0.41) ALDH1A1CA1CA2KMT2AL3MBTL1
SCHEMBL7132233 0.80 HDAC1 (0.47) ALDH1A1CA1CA2KMT2AL3MBTL1
SCHEMBL1290930 0.80 KMT2A (0.58) ALDH1A1CA1CA2KMT2ASMN1; SMN2
SCHEMBL68148 0.79 ALDH1A1 (0.59) ALDH1A1CA1CA2MAPTCES2
SCHEMBL20587670 0.79 ALDH1A1 (0.59) ALDH1A1CA1CA2MAPTCES2
SCHEMBL91167 0.78 PRSS1 (0.48) ALDH1A1CA1CA2KMT2ANPC1
SCHEMBL186794 0.78 CA1 (0.64) ALDH1A1CA1CA2KMT2AMEN1
SCHEMBL2998259 0.78 ALDH1A1 (0.60) ALDH1A1CA1CA2KMT2AMEN1
Methylene Chloride SCHEMBL29223376 0.76 ALDH1A1 (0.52) ALDH1A1CA1CA2L3MBTL1KDM4E
SCHEMBL18892653 0.76 ALDH1A1 (0.43) ALDH1A1CA1CA2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132923-B Oligoaniline derivative, charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-11-15 CN disclosed
CN-107210377-B Varnish for forming charge-transporting thin film 日产化学工业株式会社 2019-07-05 CN disclosed
CN-109983007-A Amide derivatives inhibitor and its preparation method and application 江苏豪森药业集团有限公司 2019-07-05 CN disclosed
CN-109400625-A Condensed-bicyclic class compound and its application in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed
CN-107112428-B Charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-01-22 CN disclosed
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 CN disclosed
CN-107710440-A Charge-transporting varnish and organic electroluminescent element 日产化学工业株式会社 2018-02-16 CN disclosed
CN-102977029-B As 5 HT2ASerotonin receptor modulator is applied to treat 3 phenylpyrazole derivatives of relative illness 艾尼纳制药公司 2017-12-19 CN disclosed
US-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 EP disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP disclosed
EP-0789046-B1 Polyamic acid, polyimide and liquid crystal aligning agent JSR CORP (JP) 1999-12-15 EP disclosed
US-5783656-A REACTING AN AROMATIC DIAMINE WITH A TETRACARBOXYLIC DIANHYDRIDE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-07-21 US disclosed
EP-0789046-A1 Polyamic acid, polyimide and liquid crystal aligning agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-08-13 EP disclosed
US-4500471-A REACTING TRICHLORO-OR TRIBROMOMETHYLBENZOYL HALIDES WITH HYDROGEN FLORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1985-02-19 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 (2 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-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC ALDH1A1 557/4885CA1 4533/4885CA2 3008/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC ALDH1A1 557/4885CA1 4533/4885CA2 3008/4885

“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.