SCHEMBL800467

SCHEMBL800467

CC(C)=CC(O)c1cc(C)cc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MRGPRX1 Q96LB2 1/20 0.33
ERN1 O75460 1/20 0.32
TACR1 P25103 1/20 0.32
TSHR P16473 1/20 0.31
NOS2 P35228 1/20 0.31
TPMT P51580 1/20 0.30

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
SCHEMBL11960067 0.77 STAT3 (0.42) ALDH1A1
SCHEMBL14307034 0.74 ERN1 (0.38) ALDH1A1MRGPRX1ERN1TSHRTPMT
SCHEMBL19388929 0.73 MEN1 (0.48) ALDH1A1MRGPRX1ERN1TSHRTPMT
SCHEMBL4641824 0.70 TRPA1 (0.44) ALDH1A1TSHR
SCHEMBL3584509 0.69 ALDH1A1 (0.45) ALDH1A1ERN1TACR1TSHRNOS2
SCHEMBL9702496 0.69 ALDH1A1 (0.45) ALDH1A1ERN1TACR1TSHRNOS2
SCHEMBL27920866 0.69 ALDH1A1 (0.39) ALDH1A1ERN1TACR1TSHRTPMT
SCHEMBL13677507 0.67 ALDH1A1 (0.43) ALDH1A1ERN1TACR1TSHRNOS2
SCHEMBL14469274 0.67 ALDH1A1 (0.43) ALDH1A1ERN1TACR1TSHRNOS2
SCHEMBL1721607 0.67 ALDH1A1 (0.43) ALDH1A1ERN1TACR1TSHRNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-14 US disclosed
US-9771592-B2 Methods and compositions for treating or preventing pruritis THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-09 US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 US disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 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 (4 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-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ALDH1A1 2589/4885MRGPRX1 37/4885ERN1 4162/4885
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MRGPRX1, MRGPRX2, MRGPRX4 ALDH1A1 2071/4885MRGPRX1 1/4885ERN1 4034/4885
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ALDH1A1 2589/4885MRGPRX1 37/4885ERN1 4162/4885
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ALDH1A1 2589/4885MRGPRX1 37/4885ERN1 4162/4885

“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.