SCHEMBL9929793

SCHEMBL9929793

COc1cc2c(c(OC)c1OC)C(C)(C)c1c3c(c4ccccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KDM4E B2RXH2 5/20 0.36
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
TTK P33981 1/20 0.33
PTK2 Q05397 1/20 0.32
RAB9A P51151 3/20 0.32
MAPK1 P28482 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HCRTR1 O43613 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
SCHEMBL29664127 1.00 MAPT (0.36) MAPTKDM4ETGFBR1ACVR1ALDH1A1
SCHEMBL9929184 0.89 HIF1A (0.34) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL29664343 0.89 HIF1A (0.34) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL3707410 0.84 HIF1A (0.34) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL9962598 0.84 TGFBR1 (0.33) MAPTKDM4ETGFBR1ACVR1ALDH1A1
SCHEMBL25603557 0.83 MAPT (0.32) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL1711076 0.82 ALK (0.36) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL3155860 0.82 ALDH1A1 (0.33) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL1045266 0.82 STK10 (0.35) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL29453309 0.82 STK10 (0.35) MAPTKDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651912-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2018-10-03 EP claimed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US claimed
EP-2651912-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2018-10-03 EP disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 US disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 US disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 US disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
US-20120156521-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-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, PPOX MAPT 573/4885KDM4E 2937/4885TGFBR1 4521/4885

“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.