SCHEMBL1261597

SCHEMBL1261597

C=C(C)c1cccc(F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.38
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LCLAT1 Q6UWP7 1/20 0.34
ALB P02768 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 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
SCHEMBL16955165 0.84 KMT2A (0.39) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL1260103 0.81 KMT2A (0.36) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL1261333 0.81 KMT2A (0.50) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL16954603 0.80 KRAS (0.36) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL1261656 0.80 KMT2A (0.35) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL23980121 0.80 ALDH1A1 (0.46) KMT2ANPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5279376 0.79 KRAS (0.38) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL16951697 0.79 KMT2A (0.38) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5279382 0.79 KRAS (0.38) KRASKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL10433490 0.78 CA1 (0.47) KMT2ANPC1ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017140669-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI (FR) 2017-08-24 WO disclosed
EP-1994005-B9 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2012-01-11 EP disclosed
EP-1994005-B1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-7880042-B2 antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
EP-1994005-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-11-26 EP disclosed
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents BAYER SCHERING PHARMA AG (DE) 2007-09-27 US disclosed
WO-2007104582-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-20 WO 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 (2 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-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS KRAS 3248/4885KMT2A 4701/4885NPC1 1582/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS KRAS 3442/4885KMT2A 4694/4885NPC1 1578/4885

“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.