SCHEMBL9539624

SCHEMBL9539624

[CH2]C(C)c1ccc(C([CH2])C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADRB2 P07550 1/20 0.35
CHRNA7 P36544 1/20 0.35
TYR P14679 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
ACHE P22303 1/20 0.30
ALOX5 P09917 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
SCHEMBL1005448 0.90 TYR (0.46) ADRB2TYRLMNAHTTTRPA1
SCHEMBL1006118 0.87 CHRNA7 (0.52) CHRNA7LMNAACHEALOX5
SCHEMBL3474726 0.85 ESR1 (0.62) ESR1PDCD1ESR2CD274TYR
SCHEMBL1006001 0.85 ALOX5 (0.45) ALOX5
SCHEMBL1005314 0.85 IDO1 (0.42) HTTACHE
SCHEMBL14737295 0.85 IDO1 (0.42) HTTACHE
SCHEMBL3745333 0.85 ADRB2 (0.56) ADRB2LMNA
SCHEMBL3754314 0.85 ADRB2 (0.56) ADRB2LMNA
SCHEMBL6556654 0.85 ACACB (0.37) ESR1PDCD1ESR2CD274
SCHEMBL1003900 0.85 ADRB2 (0.56) ADRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307332-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION UNIV CASE WESTERN RESERVE (US) 2024-09-19 US claimed
US-11833124-B2 Compositions and methods for modulating HEXIM1 expression CASE WESTERN RESERVE UNIVERSITY (US) 2023-12-05 US claimed
US-20210212969-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION CLEVELAND STATE UNIVERSITY 2021-07-15 US claimed
US-20160346236-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXM1 EXPRESSION CLEVELAND STATE UNIVERSITY 2016-12-01 US claimed
WO-2015116968-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION CASE WESTERN RESERVE UNIVERSITY (US) 2015-08-06 WO claimed
US-20240307332-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION UNIV CASE WESTERN RESERVE (US) 2024-09-19 US disclosed
US-11833124-B2 Compositions and methods for modulating HEXIM1 expression CASE WESTERN RESERVE UNIVERSITY (US) 2023-12-05 US disclosed
US-20210212969-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION CLEVELAND STATE UNIVERSITY 2021-07-15 US disclosed
US-10959966-B2 Compositions and methods for modulating HEXM1 expression CASE WESTERN RESERVE UNIVERSITY (US) 2021-03-30 US disclosed
US-20160346236-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXM1 EXPRESSION CLEVELAND STATE UNIVERSITY 2016-12-01 US disclosed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO disclosed
WO-2015116968-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION CASE WESTERN RESERVE UNIVERSITY (US) 2015-08-06 WO disclosed
WO-1993002041-A1 ESTER-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
US-RE32618-E ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-03-01 US disclosed
US-4308199-A ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-12-29 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 (5 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-10959966-B2 Compositions and methods for modulating HEXM1 expression HEXB, HEXA, MYADM ESR1 4250/4885PDCD1 3085/4885ESR2 3587/4885
US-20210212969-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION HK1, HKDC1, HEXB ESR1 4723/4885PDCD1 3102/4885ESR2 3997/4885
US-11833124-B2 Compositions and methods for modulating HEXIM1 expression HK1, HKDC1, HEXB ESR1 4723/4885PDCD1 3102/4885ESR2 3997/4885
US-20160346236-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXM1 EXPRESSION HEXB, HEXA, MYADM ESR1 4250/4885PDCD1 3085/4885ESR2 3587/4885
US-20240307332-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION HK1, HKDC1, HEXB ESR1 4723/4885PDCD1 3102/4885ESR2 3997/4885

“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.