SCHEMBL9926882

SCHEMBL9926882

COc1ccc2c3c(c4c(c2c1)-c1ccc(-c2ccccc2)cc1C4(C)C)C=CC(c1ccc(O)cc1)(c1ccc(O)cc1)O3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
PDE4D Q08499 1/20 0.34
PTPN1 P18031 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 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
SCHEMBL15028784 0.99 ESR1 (0.36) ESR1ABL1ABCB1BCRPDE4D
SCHEMBL9899115 0.95 KDM4E (0.34) ABL1ABCB1BCRMAPTMEN1
SCHEMBL16705204 0.94 ESR1 (0.36) ESR1ABL1ABCB1BCRPDE4D
SCHEMBL25607194 0.91 KDM4E (0.33) ABL1ABCB1BCRMAPTMEN1
SCHEMBL18102227 0.91 ALDH1A1 (0.35) ESR1MAPTMEN1KMT2AKDM4E
SCHEMBL1187759 0.91 MAPT (0.33) ESR1ABL1ABCB1BCRPDE4D
SCHEMBL9898547 0.90 MEN1 (0.34) ABL1ABCB1BCRPTPN1MEN1
SCHEMBL16705198 0.90 CYP17A1 (0.34) PDE4DKMT2ABACE1
SCHEMBL9926878 0.89 GPR84 (0.35) ABL1ABCB1BCRMEN1KMT2A
SCHEMBL29565715 0.89 ESR1 (0.34) ESR1ABL1ABCB1BCRPDE4D

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
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 ESR1 939/4885ABL1 609/4885ABCB1 1662/4885

“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.