SCHEMBL184339

SCHEMBL184339

B.c1ccc2c(Pc3cccc4ccccc34)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HSD17B10 Q99714 7/20 0.55
TSHR P16473 4/20 0.55
CYP2A6 P11509 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 2/20 0.50
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP1A2 P05177 7/20 0.44
HPGD P15428 5/20 0.44
CYP3A4 P08684 2/20 0.44
KEAP1 Q14145 1/20 0.44
PAX8 Q06710 1/20 0.41
THRB P10828 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL30066582 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL939704 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5183148 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Water SCHEMBL28268738 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL3809505 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL28717387 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3706280 0.88 HPRT1 (0.64) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL15655937 0.84 CYP2A6 (0.58) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL1925928 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL28471772 0.84 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626052-B1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES TAKEDA PHARMACEUTICAL (JP) 2012-01-04 EP disclosed
US-7541498-B2 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
CN-100412079-C Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL (JP) 2008-08-20 CN disclosed
US-20060199968-A1 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
CN-1788011-A Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL (JP) 2006-06-14 CN disclosed
EP-1626052-A1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES Takeda Pharmaceutical Company Limited (JP) 2006-02-15 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 (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-20060199968-A1 Process for production of phosphine-borane complexes BRS3, BRPF1, BRSK1 ALDH1A1 4513/4885HSD17B10 2502/4885TSHR 396/4885

“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.