SCHEMBL21111749

SCHEMBL21111749

B.OP(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 3/20 0.42
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HPRT1 P00492 1/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
CDC25B P30305 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL19553401 0.78 TRPM4 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL21111790 0.78 TRPM4 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL19553402 0.78 TRPM4 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL30170447 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL132132 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL133687 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL7569519 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29440576 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2127015 0.76 CYP1A2 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3792368 0.76 ALDH1A1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis BASF SE 2021-02-16 US disclosed
US-20190211040-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2019-07-11 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 (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-20190211040-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS PLCD1, PLCB3, PHOSPHO1 ALDH1A1 892/4885HSD17B10 3014/4885TSHR 3959/4885
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis PLCD1, PLCB3, PHOSPHO1 ALDH1A1 892/4885HSD17B10 3014/4885TSHR 3959/4885

“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.