SCHEMBL147288

SCHEMBL147288

Cc1ccc(N(CCCCCCO)CCCCCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
CNR2 P34972 3/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MCHR1 Q99705 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL4603384 0.98 CYP2C19 (0.42) CYP2C19CNR2ALDH1A1TSHRKDM4E
SCHEMBL146243 0.92 CYP2C19 (0.44) CYP2C19CNR2ALDH1A1TSHRKDM4E
SCHEMBL25913652 0.91 CNR2 (0.44) CYP2C19CNR2ALDH1A1TSHRKDM4E
SCHEMBL33921 0.83 CYP2C19 (0.47) CYP2C19CNR2ALDH1A1TSHRKDM4E
SCHEMBL15714440 0.82 CNR2 (0.43) CYP2C19CNR2ALDH1A1TSHRKDM4E
SCHEMBL22321048 0.82 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRRAB9A
SCHEMBL22321046 0.82 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRRAB9A
SCHEMBL22321042 0.82 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRRAB9A
SCHEMBL22321039 0.82 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRRAB9A
SCHEMBL22321099 0.82 CNR2 (0.51) CYP2C19CNR2ALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390273-B1 DUAL-CURE CURABLE MATERIAL KIT TOKUYAMA DENTAL CORP (JP) 2015-11-04 EP disclosed
US-8993652-B2 Dual-cure curable material kit TOKUYAMA DENTAL CORPORATION (JP) 2015-03-31 US disclosed
US-20120059079-A1 DUAL-CURE CURABLE MATERIAL KIT TOKUYAMA DENTAL CORPORATION (JP) 2012-03-08 US disclosed
EP-2390273-A1 DUAL-CURE CURABLE MATERIAL KIT Tokuyama Dental Corporation (JP) 2011-11-30 EP disclosed
US-20110255272-A1 Simulated candle apparatus PRIVAS YVES 2011-10-20 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-20120059079-A1 DUAL-CURE CURABLE MATERIAL KIT KIT, DSTYK, H1-5 CYP2C19 2693/4885CNR2 3376/4885ALDH1A1 921/4885

“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.