SCHEMBL5538726

SCHEMBL5538726

C=C(c1ccc(C)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.77
RARB P10826 7/20 0.59
RXRB P28702 7/20 0.59
RXRG P48443 7/20 0.59
RARG P13631 6/20 0.59
RARA P10276 4/20 0.59
MEN1 O00255 1/20 0.59
CYP26A1 O43174 1/20 0.59
ABCB11 O95342 1/20 0.59
ESR1 P03372 1/20 0.59
PGR P06401 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 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
SCHEMBL1072525 0.87 RXRA (1.00) RXRARARBRXRBRXRGRARG
SCHEMBL5537851 0.85 RXRA (0.74) RXRARARBRXRBRXRGRARG
SCHEMBL5540278 0.84 RXRA (0.75) RXRARARBRXRBRXRGRARG
SCHEMBL4004146 0.82 RXRA (0.72) RXRARARBRXRBRXRGRARG
SCHEMBL5534807 0.82 RXRA (0.81) RXRARARBRXRBRXRGRARG
SCHEMBL5534965 0.79 RXRA (0.61) RXRARARBRXRBRXRGRARG
SCHEMBL17225707 0.77 RXRA (0.72) RXRARARBRXRBRXRGRARG
SCHEMBL7756699 0.77 RXRA (0.78) RXRARARBRXRBRXRGRARG
SCHEMBL4910620 0.76 RXRA (0.72) RXRARARBRXRBRXRGRARG
SCHEMBL13846924 0.76 RXRA (0.72) RXRARARBRXRBRXRGRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-9573906-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-02-21 US disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 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-20170182046-A1 THERAPEUTIC COMPOUNDS PSEN1, PSEN2, MAPT RXRA 3433/4885RARB 2861/4885RXRB 3366/4885
US-20140343079-A1 THERAPEUTIC COMPOUNDS MAPT, PSEN1, PSEN2 RXRA 3109/4885RARB 2411/4885RXRB 2990/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARB 6/4885RXRB 2/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARB 21/4885RXRB 2/4885

“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.