SCHEMBL1979316

SCHEMBL1979316

O=S(=O)(CC1CCCCC1)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM5 P41594 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
PDK2 Q15119 2/20 0.35
TYR P14679 1/20 0.35
DRD2 P14416 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
SLC6A9 P48067 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL1978853 0.93 HTR1A (0.39) HTR1AKCNH2GRM5ESR1ESR2
SCHEMBL1980008 0.81 HTR1A (0.38) HTR1AKCNH2GRM5SMYD3GPR119
SCHEMBL1980422 0.78 NPC1 (0.45) HTR1ADRD2DRD3
SCHEMBL1979431 0.78 HPGD (0.51) TYR
SCHEMBL12593455 0.76 TYR (0.36) PDK2TYRDRD2DRD3
SCHEMBL1982673 0.76 LMNA (0.50) TYRDRD2
SCHEMBL6436708 0.74 TYR (0.45) ESR1ESR2OPRD1OPRK1TYR
SCHEMBL70722 0.74 ALDH1A1 (0.46) ESR1ESR2TYR
SCHEMBL5935862 0.74 ALDH1A1 (0.46) ESR1ESR2TYR
SCHEMBL19892266 0.74 ALDH1A1 (0.46) ESR1ESR2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 HTR1A 2399/4885KCNH2 3769/4885GRM5 4515/4885

“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.