SCHEMBL314910

SCHEMBL314910

COc1ccc2c(c1)C=[C]CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
MAOB P27338 2/20 0.39
SHMT2 P34897 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9782260 0.85 MTNR1A (0.40) MTNR1ACA12CA9GAAMAPT
SCHEMBL11869349 0.73 CA12 (0.44) MTNR1ACA12CA9GAAMAPT
SCHEMBL30545230 0.70 CA12 (0.49) MTNR1ACA12CA9GAAMAPT
SCHEMBL9586825 0.70 MTNR1A (0.42) MTNR1ACA12CA9GAAMAPT
SCHEMBL5229806 0.70 CA12 (0.49) MTNR1ACA12CA9GAAMAPT
SCHEMBL385406 0.69 CHRNA7 (0.41) CA12CA9GAAKDM4ENPC1
SCHEMBL266611 0.69 MTNR1A (0.53) MTNR1ACA12CA9GAAMAPT
SCHEMBL8627404 0.68 MAOB (0.57) MTNR1ACA12CA9GAAMAPT
SCHEMBL14024258 0.68 KDM4E (0.46) MTNR1AGAAMAPTKDM4ENPC1
SCHEMBL746722 0.66 ALDH1A1 (0.56) MAPTKDM4ENPC1ALDH1A1HPGD

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 4 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
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 MTNR1A 326/4885CA12 4124/4885CA9 3747/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MTNR1A 69/4885CA12 3814/4885CA9 2816/4885

“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.