SCHEMBL3724718

SCHEMBL3724718

Cc1ccc(OCC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
AR P10275 4/20 0.41
CYP17A1 P05093 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6826039 0.88 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30344595 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL21333726 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAAR
SCHEMBL10974505 0.83 KDM4E (0.50) ALDH1A1MAPTNPSR1LMNACYP2C9
SCHEMBL9527470 0.82 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL3721960 0.81 MAPT (0.64) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL1494443 0.81 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL10270453 0.80 KDM4E (0.47) ALDH1A1RECQLMAPTLMNAAR
SCHEMBL4636442 0.80 ATM (0.50) ALDH1A1MAPTLMNAAR
SCHEMBL31714528 0.80 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC ALDH1A1 276/4885TSHR 4536/4885CYP3A4 1491/4885

“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.