SCHEMBL2734530

SCHEMBL2734530

COc1ccc(OC)c(-c2ccc(CNC(=O)Nc3cccc4c3CC(O)CC4)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TRPV1 Q8NER1 12/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL2734372 0.93 F3 (0.45) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2733684 0.90 HDAC1 (0.48) ALDH1A1KMT2AKDM4EMEN1TRPV1
SCHEMBL2734754 0.89 KDM4E (0.53) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL13613614 0.88 KDM4E (0.56) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2733678 0.88 GAA (0.48) L3MBTL1ALDH1A1KMT2AMEN1TRPV1
SCHEMBL13613647 0.86 GAA (0.56) ALDH1A1KMT2AKDM4EMEN1TRPV1
SCHEMBL2733717 0.85 TRPV1 (0.50) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL13613633 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TRPV1MAPT
SCHEMBL2734521 0.84 GAA (0.48) L3MBTL1ALDH1A1KMT2AMEN1TRPV1
SCHEMBL2734544 0.84 TRPV1 (0.48) TRPV1LMNAOPRM1

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
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-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
EP-1569896-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-15 EP 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 L3MBTL1 3491/4885ALDH1A1 541/4885KMT2A 4533/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 L3MBTL1 3549/4885ALDH1A1 772/4885KMT2A 3973/4885

“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.