SCHEMBL6580876

SCHEMBL6580876

CCC(=O)c1cc(F)c(OC)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
TUBB1 Q9H4B7 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HMGCR P04035 1/20 0.41
GAA P10253 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31063303 0.88 NCOA1 (0.46) MAPTALDH1A1TUBB1HPGDTSHR
SCHEMBL13019945 0.84 PPARA (0.47) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL28114783 0.84 PPARA (0.43) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL2382429 0.83 GSK3B (0.50) ALDH1A1TUBB1MEN1KMT2AKDM4E
SCHEMBL13064649 0.83 TSHR (0.43) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL5739395 0.81 ALDH1A1 (0.44) MAPTALDH1A1TUBB1MEN1KMT2A
SCHEMBL3547368 0.79 CES2 (0.56) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL12692626 0.79 TUBB1 (0.39) MAPTALDH1A1TUBB1MEN1KMT2A
SCHEMBL12694622 0.79 TUBB1 (0.39) MAPTALDH1A1TUBB1MEN1KMT2A
SCHEMBL6341450 0.79 ERCC5 (0.47) ALDH1A1TUBB1MEN1KMT2AKDM4E

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
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed
CN-105916843-A Octahydrocyclopenta [ c ] pyrrole selective NR2B negative regulator 吕克疗法股份有限公司 2016-08-31 CN disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3788/4885ALDH1A1 3201/4885TUBB1 4076/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 MAPT 2103/4885ALDH1A1 391/4885TUBB1 68/4885

“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.