SCHEMBL18803703

SCHEMBL18803703

CC(=O)C(CO)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ UTS2R Q9UKP6 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ PTPN1 P18031 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ MLYCD O95822 1/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL12984315 0.87 CA2 (0.61) NPC1RAB9ACES2CES1CA2
SCHEMBL12984316 0.87 CA2 (0.61) NPC1RAB9ACES2CES1CA2
SCHEMBL5901366 0.86 NOS3 (0.49) NPC1RAB9ALMNACA2CA1
SCHEMBL18803708 0.83 ALDH1A1 (0.55) NPC1LMNACA2CA1CTSL
SCHEMBL18803702 0.81 MEN1 (0.56) NPC1RAB9ALMNACA2CA1
SCHEMBL18803701 0.80 CA2 (0.51) NPC1RAB9ALMNACA2CA1
SCHEMBL31446360 0.79 PPARG (0.53) NPC1RAB9ALMNACES2CES1
SCHEMBL18803709 0.79 TAS1R3 (0.59) NPC1LMNACA2CA1CTSL
SCHEMBL18803705 0.79 NPC1 (0.59) NPC1RAB9ALMNACA2CA1
SCHEMBL12177612 0.78 NPC1 (0.50) NPC1RAB9ALMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 2017-05-04 — — 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-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR MC1R, TYR, NAMPT NPC1 2716/4885RAB9A 3168/4885LMNA 1637/4885

“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.

Send feedback