SCHEMBL24178696

SCHEMBL24178696

Bc1c(B)c(B)c2c(ccc3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc32)c1B

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2B6 P20813 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL25829772 0.82 ESR1 (0.38) ESR1ESR2CDK4CCND1CYP1A2
SCHEMBL25829463 0.82 ESR1 (0.36) ESR1ESR2CDK4CCND1CYP1A2
SCHEMBL25829126 0.79 ALDH1A1 (0.46) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL22868352 0.78 ACHE (0.36) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL23056742 0.78 ACHE (0.36) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL25829298 0.76 ALDH1A1 (0.40) ESR1ESR2CYP1A2ALOX5ALDH1A1
SCHEMBL2848482 0.76 ALDH1A1 (0.54) ESR1ESR2CYP1A2ALOX5KDM4E
SCHEMBL18568476 0.75 HPRT1 (0.41) ESR1ESR2CDK4CCND1CYP1A2
SCHEMBL18880010 0.74 ALDH1A1 (0.52) ESR1ESR2CYP1A2ALOX5KDM4E
SCHEMBL22927701 0.74 HPRT1 (0.44) ESR1ESR2CDK4CCND1CYP1A2

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-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-01-05 US disclosed
US-20220006013-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC COMPOUNDS SFC CO., LTD. (KR) 2022-01-06 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-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME CLTB, CD79B, RB1 ESR1 55/4885ESR2 307/4885CDK4 160/4885
US-20220006013-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC COMPOUNDS TYR, DDC, PAH ESR1 660/4885ESR2 1026/4885CDK4 2404/4885

“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.