SCHEMBL136822

SCHEMBL136822

O=C1CCN1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
DDB1 Q16531 1/20 0.59
CRBN Q96SW2 1/20 0.59
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALOX5 P09917 1/20 0.45
G6PD P11413 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL621943 0.87 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2ADDB1
SCHEMBL136476 0.86 ALDH1A1 (0.67) NPC1RAB9AMEN1KMT2ADDB1
SCHEMBL76559 0.85 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2ADDB1
Hydrochloric Acid SCHEMBL7466356 0.85 ALDH1A1 (0.65) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL329316 0.83 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ADDB1
SCHEMBL1626841 0.83 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ADDB1
Hydrochloric Acid SCHEMBL7459714 0.83 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ADDB1
SCHEMBL1750928 0.83 NPC1 (0.52) NPC1RAB9AMEN1KMT2ADDB1
SCHEMBL19962687 0.82 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2ADDB1
2-Pyrrolidone SCHEMBL4544107 0.82 CRBN (0.51) NPC1RAB9AMEN1KMT2ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951914-A Androsterone derivant and using method thereof CALIFORNIA PACIFIC MED CT 2011-01-19 CN claimed
US-20090105202-A1 Androsterone Derivatives and Method of Use thereof CALIFORNIA PACIFIC MEDICAL CENTER (US) 2009-04-23 US claimed
WO-2008061238-A2 PROCESSES FOR PRODUCTION OF 4-BIPHENYLYAZETIDIN-2-ONES IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-22 WO claimed
JP-2007520453-A 2007-07-26 JP claimed
US-7138475-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-11-21 US claimed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP claimed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 WO claimed
US-20040220377-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
EP-0751934-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-01-08 EP claimed
WO-1995026334-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-10-05 WO claimed
JP-10130232-A None JP disclosed
CN-113242880-B Tire with a tire body 住友橡胶工业株式会社 2025-05-30 CN disclosed
CN-115485152-B Pneumatic radial tire for passenger car 住友橡胶工业株式会社 2025-03-18 CN disclosed
CN-113752753-B Pneumatic tire 住友橡胶工业株式会社 2025-03-14 CN disclosed
CN-119403685-A Tire with a tire body 住友橡胶工业株式会社 2025-02-07 CN disclosed
EP-0438248-A2 Preparation process of toner NIPPON ZEON CO., LTD. (JP) 1991-07-24 EP disclosed
US-5001196-A Process for preparation of diene type polymer rubber NIPPON ZEON CO., LTD. (JP) 1991-03-19 US disclosed
EP-0388921-A2 Additive for organic solvent or thermoplastic polymer NIPPON ZEON CO., LTD. (JP) 1990-09-26 EP disclosed
EP-0382205-A2 Additive for thermosetting resins and thermosetting resin composition containing additive NIPPON ZEON CO., LTD. (JP) 1990-08-16 EP disclosed
CN-86105247-A Antibiotic intermediate and preparation method 1987-02-04 CN 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 (1 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-20090105202-A1 Androsterone Derivatives and Method of Use thereof HSD17B11, CYP19A1, SHBG NPC1 844/4885RAB9A 4628/4885MEN1 2391/4885

“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.