SCHEMBL1979306

SCHEMBL1979306

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.49
TACR1 P25103 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
TLR9 Q9NR96 4/20 0.44
GPR119 Q8TDV5 3/20 0.44
PRMT5 O14744 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
GHSR Q92847 3/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL17368686 0.90 TACR1 (0.45) YAP1TACR1OPRD1OPRK1TLR9
SCHEMBL31166827 0.90 YAP1 (0.46) YAP1TLR9GPR119PRMT5TLR7
SCHEMBL2475638 0.90 YAP1 (0.46) YAP1TLR9GPR119PRMT5TLR7
SCHEMBL2477870 0.88 L3MBTL1 (0.52) OPRD1OPRK1PRMT5
SCHEMBL8316171 0.88 MEN1 (0.47) OPRD1OPRK1
SCHEMBL18656530 0.86 S1PR5 (0.45)
SCHEMBL4672807 0.84 OPRD1 (0.53) YAP1TACR1OPRD1OPRK1GPR119
SCHEMBL8398896 0.84 YAP1 (0.49) YAP1TACR1OPRD1OPRK1TLR9
SCHEMBL2582728 0.84 TACR1 (0.51) YAP1TACR1OPRD1OPRK1GPR119
SCHEMBL15959935 0.82 GPR119 (0.47) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650337-B2 Method of synthesising 4-piperidin-4-yl-benzene-1,3-diol and the salts of same and novel compound tert-butyl 4-(2,4-dihydroxy-phenyl)-4-hydroxy-piperidine-1-carboxylate GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-05-16 US disclosed
EP-2956438-B1 METHOD FOR SYNTHESISING 4-PIPERIDIN-4-YL-BENZENE-1,3-DIOL AND THE SALTS OF SAME AND COMPOUND TERT-BUTYL 4-(2,4-DIHYDROXY-PHENYL)-4-HYDROXY-PIPERIDINE-1-CARBOXYLATE GALDERMA RES & DEV (FR) 2017-03-22 EP disclosed
EP-2509945-B1 4-(AZACYCLOALKYL)-BENZENE-1,3-DIOL DERIVATIVES AS TYROSINASE INHIBITORS AND THEIR SYNTHESIS AND USE THEREOF GALDERMA RES & DEV (FR) 2014-03-05 EP disclosed
US-20120323012-A1 4-(AZACYCLOALKYL) -BENZENE-1,3-DIOL DERIVATIVES AS TYROSINASE INHIBITORS AND THEIR SYNTHESIS AND USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-12-20 US disclosed
EP-2509945-A1 4- (AZACYCLOALKYL) -BENZENE-1, 3 -DIOL DERIVATIVES AS TYROSINASE INHIBITORS AND THEIR SYNTHESIS AND USE THEREOF Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070080-A1 4- (AZACYCLOALKYL) -BENZENE-1, 3 -DIOL DERIVATIVES AS TYROSINASE INHIBITORS AND THEIR SYNTHESIS AND USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 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 (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-20120323012-A1 4-(AZACYCLOALKYL) -BENZENE-1,3-DIOL DERIVATIVES AS TYROSINASE INHIBITORS AND THEIR SYNTHESIS AND USE THEREOF TYR, DDT, TH YAP1 1959/4885TACR1 3545/4885OPRD1 3348/4885

“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.