SCHEMBL310879

SCHEMBL310879

O=C(CF)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PTPN1 P18031 1/20 0.60
BLM P54132 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ABL1 P00519 1/20 0.58
POLB P06746 1/20 0.58
ALPI P09923 1/20 0.58
GAA P10253 1/20 0.58
ALPG P10696 1/20 0.58
APEX1 P27695 1/20 0.58
CASP3 P42574 1/20 0.58
RECQL P46063 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
MCL1 Q07820 1/20 0.58
RIN1 Q13671 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL27492877 0.81 NPC1 (0.68) NPC1RAB9APTPN1BLMKDM4E
SCHEMBL9909660 0.80 PTPN1 (0.41) NPC1RAB9APTPN1BLMKDM4E
SCHEMBL1146715 0.80 TSHR (0.60) ALDH1A1CA1CA2CA12CA3
SCHEMBL11571 0.80 NPC1 (0.64) NPC1RAB9APTPN1MAPTHPGD
SCHEMBL7939950 0.79 NPC1 (0.81) NPC1RAB9APTPN1BLMKDM4E
SCHEMBL3987484 0.79 NPC1 (0.65) NPC1RAB9APTPN1BLMKDM4E
SCHEMBL3112630 0.78 GSK3B (0.61) NPC1RAB9AALDH1A1GAATDP1
SCHEMBL691537 0.78 GSK3B (0.64) NPC1RAB9APTPN1KDM4ELMNA
SCHEMBL743683 0.78 TPMT (0.52) NPC1RAB9APTPN1CA1CA2
SCHEMBL9820966 0.78 LMNA (0.45) NPC1RAB9APTPN1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764839-A Method for classifying the presence or absence of a microorganism in a biological medium COMMISSARIAT ENERGIE ATOMIQUE 2014-04-30 CN claimed
EP-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed
CN-117794923-A Benzodioxane compound, and preparation method and application thereof 南京红云生物科技有限公司 2024-03-29 CN disclosed
CN-117664949-A Detection method of surface-enhanced Raman nano particles and fentanyl substances 深圳海关工业品检测技术中心 2024-03-08 CN disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP disclosed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
EP-0663393-A1 Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 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 (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-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 NPC1 1022/4885RAB9A 4178/4885PTPN1 327/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 NPC1 1041/4885RAB9A 1119/4885PTPN1 308/4885

“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.