SCHEMBL3781306

SCHEMBL3781306

O=C1OCC2C3C=CC(CC3)C12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL7663419 1.00 POLB (0.35) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19944700 0.85 ALDH1A1 (0.38) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10485411 0.83 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1RECQLTDP1
SCHEMBL7360243 0.83 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1RECQLTDP1
SCHEMBL1218407 0.83 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1RECQLTDP1
SCHEMBL5406558 0.73
SCHEMBL5400982 0.73
SCHEMBL14566116 0.72 ALDH1A1 (0.34) ALDH1A1L3MBTL1RECQLTDP1KMT2A
SCHEMBL10029224 0.70 TDP1 (0.48) POLBALDH1A1L3MBTL1APEX1RECQL
SCHEMBL2512784 0.70 TDP1 (0.48) POLBALDH1A1L3MBTL1APEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS POLB 1258/4885ALDH1A1 1979/4885CYP1A2 53/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS POLB 1295/4885ALDH1A1 1821/4885CYP1A2 38/4885

“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.