SCHEMBL8977472

SCHEMBL8977472

CCN1CCCC[C@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SPHK2 Q9NRA0 5/20 0.43
SPHK1 Q9NYA1 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
CFB P00751 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6436481 1.00 ALDH1A1 (0.45) ALDH1A1SPHK2SPHK1L3MBTL1POLB
SCHEMBL14155734 1.00 ALDH1A1 (0.45) ALDH1A1SPHK2SPHK1L3MBTL1POLB
SCHEMBL3950159 0.93
SCHEMBL4094412 0.93
SCHEMBL4080039 0.93
SCHEMBL6628592 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL16978990 0.84
SCHEMBL22208100 0.84
SCHEMBL16941609 0.84
SCHEMBL7269508 0.83 SPHK2 (0.51) SPHK2SPHK1L3MBTL1POLBCFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
US-8188089-B2 Tylophorine analogs as antitumor agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8188089-B2 Tylophorine analogs as antitumor agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
WO-2007081540-A2 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-19 WO 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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALDH1A1 1283/4885SPHK2 956/4885SPHK1 925/4885
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents RPL30, RPL18A, RPP30 ALDH1A1 2860/4885SPHK2 1682/4885SPHK1 1419/4885

“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.