SCHEMBL16674494

SCHEMBL16674494

COCCOc1ccccc1C(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ BRPF1 P55201 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL12798707 0.85 ADRB2 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL365723 0.85 HTT (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL10555609 0.84 KMT2A (0.48) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL16674479 0.81 HCRTR1 (0.58) ALDH1A1LMNAKDM4EHTTKMT2A
SCHEMBL1505142 0.81 ALDH1A1 (0.74) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL3340831 0.81 LMNA (0.77) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL16674542 0.81 KDM4E (0.63) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL22836995 0.81 HTT (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL16674534 0.80 KDM4E (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL23835432 0.80 LMNA (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 — — US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 — — 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885LMNA 2143/4885KDM4E 4395/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885LMNA 2143/4885KDM4E 4395/4885

“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.

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