SCHEMBL22076597

SCHEMBL22076597

CC(Br)=CCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.43
CA1 P00915 3/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.37
TK1 P04183 1/20 0.37

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
SCHEMBL21017017 1.00 TSHR (0.50) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL381981 0.85 TSHR (0.54) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL27411003 0.85 TSHR (0.54) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL466109 0.82 ALDH1A1 (0.50) TSHRALDH1A1ALOX5MAPTMAPK1
SCHEMBL20521373 0.82 ALDH1A1 (0.50) TSHRALDH1A1ALOX5MAPTMAPK1
SCHEMBL20463926 0.82 TSHR (0.47) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL7462710 0.82 TSHR (0.47) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL7462714 0.82 TSHR (0.47) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL25298017 0.80 FNTA (0.51) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL25776221 0.80 FNTA (0.51) TSHRALDH1A1ALOX5CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 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-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA TSHR 53/4885ALDH1A1 835/4885ALOX5 1405/4885
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA TSHR 53/4885ALDH1A1 835/4885ALOX5 1405/4885

“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.