SCHEMBL316261

SCHEMBL316261

CCCCOc1c[c]ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMPD1 P17405 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE4C Q08493 2/20 0.38
FAAH O00519 1/20 0.37
MAPK1 P28482 2/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7180376 0.93 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL314353 0.91 KDM4E (0.37) TDP1L3MBTL1TP53ALDH1A1PDE4B
SCHEMBL677792 0.91 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL21268352 0.87 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL6200785 0.86 ALDH1A1 (0.43) TDP1L3MBTL1SMPD1ALDH1A1LMNA
SCHEMBL11717070 0.86 ALDH1A1 (0.43) TDP1L3MBTL1SMPD1ALDH1A1LMNA
SCHEMBL2806331 0.86 SMN1; SMN2 (0.40) TDP1L3MBTL1SMPD1ALDH1A1MAPK1
SCHEMBL21268380 0.86 L3MBTL1 (0.42) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL7110497 0.86 NR5A1 (0.44) CYP1A2CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL27265460 0.86 NR5A1 (0.44) CYP1A2CYP2C9CYP2C19TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US claimed
CN-105452398-A Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KK 2016-03-30 CN disclosed
WO-2015161830-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 WO disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CYP1A2 285/4885CYP2C9 617/4885CYP2C19 703/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CYP1A2 507/4885CYP2C9 1314/4885CYP2C19 307/4885

“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.