SCHEMBL23747205

SCHEMBL23747205

COc1ccc2cc(-c3cccc(-c4ccccc4)c3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.78
CYP11B1 P15538 3/20 0.78
HSD17B1 P14061 1/20 0.69
HSD17B2 P37059 1/20 0.69
ABL1 P00519 2/20 0.61
ABCB1 P08183 2/20 0.61
BCR P11274 2/20 0.61
CYP1A2 P05177 4/20 0.61
CYP2A6 P11509 3/20 0.61
CYP17A1 P05093 3/20 0.60
CYP19A1 P11511 1/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GSTP1 P09211 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
PLAU P00749 3/20 0.54
CYP1A1 P04798 2/20 0.53
CYP2E1 P05181 2/20 0.53
CYP2C8 P10632 2/20 0.53

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
SCHEMBL1755086 0.96 CYP11B2 (0.77) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL22402247 0.96 CYP11B2 (0.77) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL27945362 0.92 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
Methyl Alcohol SCHEMBL29235275 0.92 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL5980264 0.92 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL2123715 0.88 HSD17B1 (0.74) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL27649742 0.88 ABL1 (0.77) CYP11B2CYP11B1ABL1ABCB1BCR
SCHEMBL25041887 0.86 CYP1A2 (0.83) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL3020390 0.86 HSD17B1 (0.76) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL12051687 0.85 HSD17B1 (0.83) CYP11B2CYP11B1HSD17B1HSD17B2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 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 (2 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B2 427/4885CYP11B1 455/4885HSD17B1 2404/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CYP11B2 611/4885CYP11B1 703/4885HSD17B1 3466/4885

“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.