SCHEMBL20101686

SCHEMBL20101686

COc1ccc(-c2c(OC)ccc3ccccc23)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50

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
SCHEMBL19091029 0.87 MAPT (0.54) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28866215 0.83 CYP1A1 (0.59) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29428410 0.83 MAPT (1.00) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL998182 0.83 MAPT (1.00) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL20101688 0.81 CYP1A2 (0.57) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17178286 0.80 CYP3A4 (0.48) MAPTRAB9AALDH1A1CYP1A2CYP2A6
SCHEMBL15314622 0.79 MAPT (0.71) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28803629 0.79 MAPT (0.76) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12880138 0.78 MAPT (0.75) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29512056 0.78 MAPT (0.75) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081672-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 WO disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 US disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 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-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 MAPT 3715/4885MEN1 2277/4885KMT2A 1037/4885

“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.