SCHEMBL22722604

SCHEMBL22722604

CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.78
KDM4E B2RXH2 3/20 0.78
ALDH1A1 P00352 3/20 0.78
CYP1A2 P05177 1/20 0.78
RAB9A P51151 6/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
TP53 P04637 2/20 0.73
ALOX15 P16050 1/20 0.73
LMNA P02545 1/20 0.72
STAT3 P40763 1/20 0.72
MCHR1 Q99705 1/20 0.69
MAPT P10636 5/20 0.68
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MCL1 Q07820 1/20 0.65
HPGD P15428 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
NR1H4 Q96RI1 2/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62

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
SCHEMBL22192246 0.94 SMN1; SMN2 (0.81) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL10876762 0.88 SMN1; SMN2 (0.72) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL8361570 0.88 SMN1; SMN2 (0.72) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL4257510 0.87 NR1H4 (0.76) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL22192237 0.86 NPC1 (0.66) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL2839008 0.86 SMN1; SMN2 (0.66) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL2119008 0.86 TRPV1 (0.70) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL8363731 0.86 SMN1; SMN2 (0.69) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL12338996 0.86 TRPV1 (0.70) NPC1KDM4EALDH1A1CYP1A2RAB9A
SCHEMBL6799157 0.86 RAB9A (1.00) NPC1KDM4EALDH1A1CYP1A2RAB9A

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-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 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-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 NPC1 2726/4885KDM4E 4325/4885ALDH1A1 607/4885

“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.