SCHEMBL8510608

SCHEMBL8510608

COc1ccc(C2(c3ccc(OCCO)cc3)C=Cc3c4c(c5ccc(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 2/20 0.32
PLIN1 O60240 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
PLIN5 Q00G26 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30708919 0.97 MEN1 (0.31) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL3704719 0.97 MEN1 (0.31) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL2371469 0.94 ALK (0.32) HTTPDK2RECQLALKGPR84
SCHEMBL26231110 0.93 PDK2 (0.31) PDK2ALK
SCHEMBL1009643 0.93 ALK (0.35) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL15954429 0.92 ALDH1A1 (0.32) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL25606724 0.91 KDM4E (0.36) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL1009814 0.90 FFAR1 (0.33) ALKGPR84
SCHEMBL25717698 0.90 KDM4E (0.35) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL29453316 0.89 LMNA (0.32) LMNAPDK2MAPTALK

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-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 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-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 MEN1 1225/4885LMNA 1232/4885TSHR 4754/4885

“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.