SCHEMBL2734754

SCHEMBL2734754

COc1ccc(-c2ccc(CNC(=O)Nc3cccc4c3CC(O)CC4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
TRPV1 Q8NER1 11/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
OPRM1 P35372 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.45
SNCA P37840 1/20 0.45

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
SCHEMBL13613614 0.97 KDM4E (0.56) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL2733717 0.93 TRPV1 (0.50) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL2734530 0.89 L3MBTL1 (0.48) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL2734756 0.89 TRPV1 (0.50) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL2733678 0.89 GAA (0.48) MEN1ALDH1A1KMT2ATRPV1L3MBTL1
SCHEMBL2734364 0.88 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL2733684 0.88 HDAC1 (0.48) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL13613633 0.87 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ATRPV1OPRM1
SCHEMBL2734531 0.87 TRPV1 (0.53) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL2734059 0.86 TRPV1 (0.46) MEN1ALDH1A1KMT2ATRPV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173841-B2 Tetrahydro-naphthalene derivatives XENTION LIMITED (GB) 2012-05-08 US disclosed
US-8173841-B2 Tetrahydro-naphthalene derivatives XENTION LIMITED (GB) 2012-05-08 US disclosed
US-8088826-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl-groups; vanilloid receptor antagonists; analgesics antiinflammatory agent; urogenital disorders XENTION LIMITED (GB) 2012-01-03 US disclosed
US-8088826-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl-groups; vanilloid receptor antagonists; analgesics antiinflammatory agent; urogenital disorders XENTION LIMITED (GB) 2012-01-03 US disclosed
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2011-07-21 US disclosed
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2011-07-21 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
US-7381840-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl- group; vanilloid receptor antagonists XENTION LIMITED (GB) 2008-06-03 US disclosed
US-7381840-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl- group; vanilloid receptor antagonists XENTION LIMITED (GB) 2008-06-03 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 (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-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES OPRL1, OPRK1, VAT1 KDM4E 4726/4885MEN1 3717/4885ALDH1A1 541/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 KDM4E 4093/4885MEN1 3823/4885ALDH1A1 772/4885

“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.