SCHEMBL12704205

SCHEMBL12704205

CCCCCCCCCC(C)COc1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAOB P27338 6/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.41
SMPD1 P17405 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 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
SCHEMBL6679788 0.82 LTA4H (0.50) ALDH1A1
SCHEMBL4970580 0.82 MAOB (0.50) MAOBALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL28949610 0.82 LTA4H (0.50) ALDH1A1
SCHEMBL1591503 0.80 TSHR (0.65) TSHRMAOBALDH1A1KDM4ESMPD1
SCHEMBL1590940 0.80 TSHR (0.65) TSHRMAOBALDH1A1KDM4ESMPD1
SCHEMBL13828553 0.80 TSHR (0.65) TSHRMAOBALDH1A1KDM4ESMPD1
SCHEMBL2623452 0.80 TSHR (0.65) TSHRMAOBALDH1A1KDM4ESMPD1
SCHEMBL6686112 0.80 LMNA (0.52) ALDH1A1CYP2D6
SCHEMBL3683494 0.80 TSHR (0.65) TSHRMAOBALDH1A1KDM4ESMPD1
SCHEMBL28730788 0.79 LTA4H (0.47) ALDH1A1

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
US-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 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-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT DHFR, COASY, QDPR TSHR 3057/4885MAOB 286/4885ALDH1A1 892/4885

“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.