SCHEMBL4909262

SCHEMBL4909262

O=C(C=CC=Cc1ccc2c(c1)OCO2)NC1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.84
HDAC6 Q9UBN7 3/20 0.67
HSD17B10 Q99714 3/20 0.61
CYP1A2 P05177 2/20 0.61
TRPV1 Q8NER1 3/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GABRA1 P14867 3/20 0.59
GABRB2 P47870 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 2/20 0.59
TP53 P04637 2/20 0.59
CTSD P07339 1/20 0.59
ABCB1 P08183 1/20 0.59
ALOX5 P09917 1/20 0.59
MAOA P21397 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL11445628 1.00 MAOB (0.84) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL4909255 1.00 MAOB (0.84) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL11458668 1.00 MAOB (0.84) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL4955887 0.99 MAOB (0.82) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL4955899 0.99 MAOB (0.82) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL17340465 0.99 MAOB (0.84) MAOBHDAC6HSD17B10CYP1A2TRPV1
SCHEMBL3120231 0.91 MAOB (1.00) MAOBCYP1A2TRPV1HPGDSMN1; SMN2
SCHEMBL13271652 0.91 MAOB (1.00) MAOBCYP1A2TRPV1HPGDSMN1; SMN2
SCHEMBL3831979 0.91 MAOB (1.00) MAOBCYP1A2TRPV1HPGDSMN1; SMN2
SCHEMBL3831982 0.91 MAOB (1.00) MAOBCYP1A2TRPV1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361685-B2 Compounds for use in the treatment of skin conditions OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-04-22 US claimed
US-20080146987-A1 TREATMENT OF A SKIN CONDITION USING A PIPERINE-BASED COMPOSITION IN CONJUNCTION WITH IRRADIATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-06-19 US disclosed
US-7361685-B2 Compounds for use in the treatment of skin conditions OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-04-22 US disclosed
US-7122561-B2 Treatment of skin conditions BTG INTERNATIONAL LIMITED (GB) 2006-10-17 US disclosed
US-20040254165-A1 Compounds for use in the treatment of skin conditions OREGON HEALTH & SCIENCE UNIVERSITY 2004-12-16 US disclosed
US-20040061142-A1 Treatment of skin conditions BTG INTERNATIONAL LIMITED 2004-04-01 US disclosed
US-6680391-B2 PIPERINE AND ANALOGUES OR DERIVATIVES FOR THE TREATMENT OF SKIN CONDITIONS TREATABLE BY STIMULATING MALENOCYTE PROLIFERATION, SUCH AS VITILGO, AND ALSO FOR SKIN CANCER BTG INTERNATIONAL LIMITED (GB) 2004-01-20 US disclosed
EP-1377571-A1 COMPOUNDS FOR USE IN THE TREATMENT OF SKIN CONDITIONS BTG INTERNATIONAL LIMITED (GB) 2004-01-07 EP disclosed
US-20020168369-A1 Treatment of skin conditions BTG INTERNATIONAL LIMITED 2002-11-14 US disclosed
WO-2002057260-A1 COMPOUNDS FOR USE IN THE TREATMENT OF SKIN CONDITIONS BTG INTERNATIONAL LIMITED (GB) 2002-07-25 WO disclosed
US-4209446-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4209445-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX HAARMAN & REIMER GMBH (DE) 1980-06-24 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-20040254165-A1 Compounds for use in the treatment of skin conditions TYR, MC1R, MITF MAOB 61/4885HDAC6 807/4885HSD17B10 798/4885
US-20020168369-A1 Treatment of skin conditions TYR, MC1R, MITF MAOB 752/4885HDAC6 1371/4885HSD17B10 3783/4885

“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.