SCHEMBL23631598

SCHEMBL23631598

COc1cc(CCc2ccccc2-c2ccc(OC)c(OC)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.53
▸ NR1H3 Q13133 2/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ALOX5 P09917 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ ATM Q13315 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL23202597 1.00 ABCB1 (0.53) ABCB1NR1H3PTPN1TAAR1TSHR
SCHEMBL23202521 0.96 PTPN1 (0.56) ABCB1NR1H3PTPN1TAAR1TSHR
SCHEMBL23202587 0.92 TSHR (0.54) NR1H3PTPN1TAAR1TSHRMAPK1
SCHEMBL30451526 0.92 ABCB1 (0.61) ABCB1NR1H3ABCG2CYP19A1ATM
SCHEMBL23638842 0.92 ABCB1 (0.61) ABCB1NR1H3ABCG2CYP19A1ATM
SCHEMBL23202589 0.91 ABCB1 (0.54) ABCB1NR1H3TSHRALOX5GABRA1
SCHEMBL23202582 0.91 TUBB4A (0.52) ABCB1NR1H3TSHRALOX5GABRA1
SCHEMBL23202596 0.85 TUBB4A (0.55) ABCB1NR1H3TSHRALOX5GABRA1
SCHEMBL31079358 0.85 TUBB4A (0.55) ABCB1NR1H3TSHRALOX5GABRA1
SCHEMBL8706804 0.81 ABCB1 (0.64) ABCB1NR1H3PTPN1ABCG2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805192-B1 NOVEL BIPHENYL DERIVATIVE COMPOUND AND USE THEREOF UNIV EWHA IND COLLABORATION (KR) 2024-09-11 — — EP disclosed
US-11939308-B2 Biphenyl derivative compound and use thereof EWHA University—Industry Collaboration Foundation (KR) 2024-03-26 — — US disclosed
US-20210214324-A1 Novel Biphenyl Derivative Compound and Use Thereof EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2021-07-15 — — US disclosed
US-20210214324-A1 Novel Biphenyl Derivative Compound and Use Thereof EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2021-07-15 — — 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-11939308-B2 Biphenyl derivative compound and use thereof NDC1, NME1, NME4 ABCB1 335/4885NR1H3 3424/4885PTPN1 1278/4885
US-20210214324-A1 Novel Biphenyl Derivative Compound and Use Thereof NDC1, NME1, NUDC ABCB1 281/4885NR1H3 3257/4885PTPN1 1274/4885

“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.

Send feedback