SCHEMBL7692941

SCHEMBL7692941

Brc1ccc2c(c1)[C]C2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC4 P56524 2/20 0.35
KDM1A O60341 4/20 0.34
CYP2A6 P11509 1/20 0.33
MMP2 P08253 1/20 0.33
CYP19A1 P11511 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL9688889 0.76 EDNRA (0.34) CYP1A2KDM1AEDNRACYP2C9CYP2C19
SCHEMBL12873511 0.68 KDM1A (0.42) MAPK1CYP1A2HDAC4KDM1ACYP2A6
SCHEMBL14185426 0.67 CYP1A2 (0.46) MAPK1CYP1A2HDAC4KDM1ACYP2A6
SCHEMBL9565758 0.63 CYP19A1 (0.39) HDAC4KDM1ACYP19A1NPC1SLC6A2
SCHEMBL14488047 0.63 HTR2A (0.46) KDM1ACYP19A1NPC1RAB9ASLC6A2
SCHEMBL10042990 0.63 CYP1A2 (0.50) MAPK1CYP1A2HDAC4KDM1ACYP19A1
SCHEMBL14701534 0.63 MEN1 (0.42) MAPK1CYP1A2KDM1ACYP2A6CYP19A1
SCHEMBL31432959 0.61 PRCP (0.46) KDM1AMEN1KMT2AGAA
SCHEMBL13991613 0.61 AHR (0.40) MAPK1CYP1A2HDAC4KDM1ACYP19A1
SCHEMBL30464067 0.60 MAPK1 (0.47) MAPK1CYP1A2KDM1ACYP2A6EDNRB

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-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed

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-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP MAPK1 3680/4885CYP1A2 3072/4885HDAC4 3358/4885

“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.