SCHEMBL1344585

SCHEMBL1344585

CCC1C(c2ccc(OC(C)=O)cc2)Cc2ccc(OC(C)=O)cc2C1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
SCN3A Q9NY46 6/20 0.35
MDM2 Q00987 1/20 0.34
MAOB P27338 1/20 0.34
ACHE P22303 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 4/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 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
SCHEMBL1346915 0.89 NQO2 (0.41) NQO2MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL1347277 0.81 SHBG (0.44) MDM2ALDH1A1
SCHEMBL1347610 0.81 SHBG (0.44) MDM2ALDH1A1
SCHEMBL1346302 0.81 SHBG (0.44) MDM2ALDH1A1
SCHEMBL1346092 0.80 KDM1A (0.40) NQO2MTNR1AMTNR1BMAOB
SCHEMBL1347055 0.79 OPRM1 (0.42) NQO2MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL1346061 0.78 MTNR1A (0.46) NQO2MTNR1AMTNR1BMAOBALDH1A1
SCHEMBL1346436 0.78 NQO2 (0.41) NQO2MTNR1AMTNR1BOPRM1OPRK1
SCHEMBL1347606 0.76 SHBG (0.36) MDM2MAOBALDH1A1
SCHEMBL1344324 0.76 SHBG (0.36) MDM2MAOBALDH1A1

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.