SCHEMBL2697770

SCHEMBL2697770

Cc1ccc(-c2ccc(C(O)=CC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
PKM P14618 2/20 0.40
ATM Q13315 2/20 0.40
HPGD P15428 2/20 0.40
NLRP1 Q9C000 1/20 0.40
NTSR1 P30989 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL2700540 1.00 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL2697768 1.00 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL25142179 0.95 MAPT (0.54) MAPTALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL2697721 0.89 RXRA (0.56) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2697722 0.89 RXRA (0.56) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2698826 0.84 RXRA (0.45) ALDH1A1MEN1KMT2AHTTRXRA
SCHEMBL2698824 0.84 RXRA (0.45) ALDH1A1MEN1KMT2AHTTRXRA
SCHEMBL2697879 0.83 ALDH1A1 (0.44) MAPTALDH1A1CA2MEN1KMT2A
SCHEMBL2700543 0.83 CYP1A2 (0.54) ALDH1A1SMN1; SMN2CA2MEN1KMT2A
SCHEMBL2698488 0.83 NR4A1 (0.50) ALDH1A1KDM4ERXRARXRBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 MAPT 4672/4885ALDH1A1 1949/4885KDM4E 3710/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 MAPT 4672/4885ALDH1A1 1949/4885KDM4E 3710/4885

“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.