SCHEMBL2255691

SCHEMBL2255691

CC(=O)c1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.47
MAOA P21397 4/20 0.46
SYK P43405 1/20 0.39
TRPV1 Q8NER1 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
RORC P51449 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
SCHEMBL2261961 0.93 NR1H4 (0.41) MAOBMAOASYKTRPV1
SCHEMBL2260681 0.91 NR4A2 (0.46) TRPV1PPARGRORC
SCHEMBL2259893 0.90 TRPV1 (0.41) TRPV1MAPTLMNA
SCHEMBL2257625 0.90 MRGPRX4 (0.42) TRPV1MAPTSMN1; SMN2RORC
SCHEMBL2257135 0.90 RORC (0.38) MAOBTRPV1PPARGRORC
SCHEMBL2257146 0.89 MAOB (0.47) MAOBMAOATRPV1MAPTLMNA
SCHEMBL2258228 0.89 TDP1 (0.41) MAOBSYK
SCHEMBL2257315 0.88 MRGPRX4 (0.43) TRPV1SMN1; SMN2
SCHEMBL12361744 0.88 TRPV1 (0.38) TRPV1MAPT
SCHEMBL2257996 0.88 PTGS2 (0.46) SYKTRPV1MAPTSMN1; SMN2RORC

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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 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 (1 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 MAOB 3102/4885MAOA 4476/4885SYK 3609/4885

“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.