SCHEMBL1260103

SCHEMBL1260103

C=C(c1cccc(F)c1OC)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
KRAS P01116 2/20 0.34
RAB9A P51151 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
BCHE P06276 1/20 0.33
LCLAT1 Q6UWP7 1/20 0.33
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.32
ALB P02768 1/20 0.32
HIF1A Q16665 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
SCHEMBL1261597 0.81 KRAS (0.38) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL1261656 0.77 KMT2A (0.35) KMT2ANPC1SMN1; SMN2ALDH1A1SLC6A2
SCHEMBL16955165 0.77 KMT2A (0.39) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL28266600 0.76 CES2 (0.45) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL16956129 0.75 KMT2A (0.36) KMT2ANPC1SMN1; SMN2ALDH1A1SLC6A2
SCHEMBL5307599 0.75 KRAS (0.40) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL1261404 0.75 KDM4E (0.36) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL29933044 0.74 ALB (0.55) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL184046 0.74 ALB (0.55) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS
SCHEMBL1261333 0.74 KMT2A (0.50) KMT2ANPC1SMN1; SMN2ALDH1A1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 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
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 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 (3 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 KMT2A 4743/4885NPC1 1413/4885SMN1; SMN2 4515/4885
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS KMT2A 4701/4885NPC1 1582/4885SMN1; SMN2 2881/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS KMT2A 4694/4885NPC1 1578/4885SMN1; SMN2 2835/4885

“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.