SCHEMBL13220682

SCHEMBL13220682

Cc1ccc2c(c1)CC(=O)c1cc(C(C)C(C)C)ccc1O2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ATM Q13315 4/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
METAP1 P53582 2/20 0.33
RAD52 P43351 1/20 0.33
ABCC4 O15439 1/20 0.32
PTGS1 P23219 1/20 0.32
RAB9A P51151 1/20 0.31
PTGS2 P35354 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL13241522 0.89 LMNA (0.37) KDM4EATMHTTKMT2AMEN1
SCHEMBL11576098 0.84 KDM4E (0.45) KDM4EATMHTTKMT2AMEN1
SCHEMBL13777304 0.84 KDM4E (0.39) KDM4EATMHTTKMT2AMEN1
Bermoprofen SCHEMBL25434 0.84 PTGS1 (0.49) KMT2AMEN1HPGDABCC4PTGS1
SCHEMBL14434968 0.84 PTGS1 (0.41) KDM4EATMHTTKMT2AMEN1
Bermoprofen SCHEMBL29454489 0.84 PTGS1 (0.49) KMT2AMEN1HPGDABCC4PTGS1
SCHEMBL13875314 0.83 PTGS1 (0.38) KDM4EATMHTTKMT2AMEN1
Bermoprofen SCHEMBL11441448 0.82 PTGS1 (0.39) KDM4EATMRAD52ABCC4PTGS1
SCHEMBL11577980 0.78 MAOB (0.40) KDM4EATMHTTKMT2AMEN1
SCHEMBL11578024 0.76 KDM4E (0.36) KDM4EATMHTTKMT2AMEN1

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-20100217028-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2010-08-26 US disclosed
US-20100137599-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE NICOX S.A. (FR) 2010-06-03 US disclosed
US-7723382-B2 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2007-05-17 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 (3 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-20100137599-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE CYP11B1, CYP11B2, HSD17B7 KDM4E 1093/4885ATM 4513/4885HTT 3573/4885
US-20100217028-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF CYP2A13, CYP3A43, POR KDM4E 2469/4885ATM 3707/4885HTT 3987/4885
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof CYP2A13, CYP3A43, POR KDM4E 2469/4885ATM 3707/4885HTT 3987/4885

“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.