SCHEMBL9962598

SCHEMBL9962598

COc1cc2c3c(c4c(c2c(OC)c1OC)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C4)C(C)(C)c1ccccc1-3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.32
SMO Q99835 1/20 0.32
TTK P33981 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
SCHEMBL29453309 0.90 STK10 (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL1045266 0.90 STK10 (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL9962603 0.89 ALDH1A1 (0.34) TGFBR1ACVR1MAPTKDM4EALDH1A1
SCHEMBL25605055 0.88 STK10 (0.36) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL25605060 0.87 PIK3CA (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL11995963 0.87 PIK3CA (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL13868743 0.85 MAPT (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL25844425 0.85 STK10 (0.35) STK10SLKPIK3CAMAPTKDM4E
SCHEMBL9962599 0.85 RAF1 (0.33) TGFBR1ACVR1MAPTKDM4EPTK2
SCHEMBL2200006 0.85 ACHE (0.35) MAPTALDH1A1TSHRLMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 TGFBR1 4407/4885ACVR1 3494/4885STK10 4021/4885

“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.