SCHEMBL18609476

SCHEMBL18609476

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C3CC3)c2)[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BTK Q06187 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL14959038 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9GAAHSD17B10
SCHEMBL14959021 0.91 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9GAADRD2
SCHEMBL14960573 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9LMNATSHR
SCHEMBL13060130 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9LMNATSHR
SCHEMBL18532596 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9LMNATSHR
SCHEMBL20879776 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9GAAHSD17B10
SCHEMBL25133167 0.88 TRPM8 (0.46) ALDH1A1CYP1A2CYP2C9GAAHSD17B10
SCHEMBL13060133 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9GAAHSD17B10
SCHEMBL12176191 0.88 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9GAAHSD17B10
SCHEMBL18609697 0.88 TRPM8 (0.46) ALDH1A1CYP1A2CYP2C9GAAHSD17B10

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-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 — — 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-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2882/4885CYP1A2 2361/4885CYP2C9 2216/4885

“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