SCHEMBL1344496

SCHEMBL1344496

COc1ccc(C2Cc3ccc(OC)cc3C(Cc3cc(F)ccc3F)C2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAOB P27338 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 2/20 0.34
KDM1A O60341 3/20 0.34
SLC6A4 P31645 2/20 0.34
MAOA P21397 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1A P08908 1/20 0.34
MAPK14 Q16539 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL1346637 0.88 NQO2 (0.46) NQO2MTNR1AMTNR1BALDH1A1MAOB
SCHEMBL1347032 0.86 NQO2 (0.42) NQO2MTNR1AMTNR1BALDH1A1MAOB
SCHEMBL1344502 0.83 NQO2 (0.43) NQO2MTNR1AMTNR1BALDH1A1MAOB
SCHEMBL1344331 0.83 NQO2 (0.44) NQO2MTNR1AMTNR1BMAOBL3MBTL1
SCHEMBL12133276 0.83 SHBG (0.41) OPRM1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL14655844 0.82 NQO2 (0.43) NQO2MTNR1AMTNR1BMAOBOPRM1
SCHEMBL12133263 0.82 KDM1A (0.40) NQO2MTNR1AMTNR1BMAOBKDM1A
SCHEMBL1345970 0.80 NQO2 (0.39) NQO2MTNR1AMTNR1BMAOBL3MBTL1
SCHEMBL1346589 0.80 NQO2 (0.43) NQO2MTNR1AMTNR1BMAOBL3MBTL1
SCHEMBL1346063 0.79 NQO2 (0.48) NQO2MTNR1AMTNR1BMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406206-B1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES MSD OSS BV (NL) 2013-01-30 EP disclosed
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US disclosed
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US disclosed
US-8063102-B2 Tetrahydronaphthalen-2-ol derivatives N.V. ORGANON (NL) 2011-11-22 US disclosed
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 US disclosed
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 US disclosed
US-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N. V. ORGANON 2010-09-23 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-20100240748-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES VHL, BRCA1, TPH2 NQO2 1888/4885MTNR1A 133/4885MTNR1B 84/4885

“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.