SCHEMBL315404

SCHEMBL315404

CCCOc1[c]cccc1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LTA4H P09960 1/20 0.32
MAPT P10636 4/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL10841928 0.91 LTA4H (0.39) LTA4HALDH1A1TDP1MAPK1CYP2D6
SCHEMBL15410684 0.87 NR5A1 (0.40) LTA4HMAPTTP53ALDH1A1KMT2A
SCHEMBL2456321 0.84 NQO1 (0.36) LTA4HMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL21224305 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4EGAA
SCHEMBL1404339 0.81 MCHR1 (0.39) MAPTTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2965018 0.79 CA12 (0.33) LTA4HMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2968624 0.79 NPC1 (0.38) LTA4HMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL2969913 0.79 L3MBTL1 (0.36) LTA4HMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2975476 0.79 LTA4H (0.31) LTA4HMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL8009349 0.78 ALDH1A1 (0.31) ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN 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
EP-0189774-B1 PROCESS FOR PRODUCTION OF N,N-DISUBSTITUTED CARBOXYLIC ACID AMIDES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed
US-4323387-A N-Thiolcarbonyl derivatives of N-phosphonomethylglycinonitrile esters, herbicidal compositions and use thereof MONSANTO COMPANY (US) 1982-04-06 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 PTGS1 190/4885PTGS2 241/4885LTA4H 59/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PTGS1 219/4885PTGS2 439/4885LTA4H 597/4885

“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.