SCHEMBL14243776

SCHEMBL14243776

CCCCS(=O)(=O)N1CCC(c2cc(F)c(O)cc2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
EPHX2 P34913 2/20 0.41
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 3/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1E P49674 1/20 0.37
BTK Q06187 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.36
NPY5R Q15761 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL1980422 0.81 NPC1 (0.45) NPC1EPHX2LMNAIKBKBAURKA
SCHEMBL1979216 0.80 LMNA (0.48) LMNAIKBKBAURKACHUKFLT3
SCHEMBL1980008 0.78 HTR1A (0.38) SMYD3
SCHEMBL1979493 0.77 HPGD (0.49)
SCHEMBL1978439 0.75 DRD3 (0.44) NPC1EPHX2
SCHEMBL2475373 0.74 MAPK1 (0.46) EPHX2
SCHEMBL14243575 0.74 LMNA (0.43) LMNA
SCHEMBL14243695 0.73 PTGDR2 (0.52) NPC1LMNASMN1; SMN2KDM4EUSP2
SCHEMBL2770723 0.71 KDM4E (0.50) LMNAKDM4EGLAUSP2L3MBTL1
SCHEMBL3356388 0.69 RBP4 (0.38) NPC1

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 4 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-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

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 NPC1 2757/4885EPHX2 487/4885LMNA 4049/4885

“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.