SCHEMBL20811730

SCHEMBL20811730

CCc1ccc(C(C)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ RXRG P48443 1/20 0.38
▸ ESR1 P03372 6/20 0.37
▸ ESR2 Q92731 5/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ AR P10275 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ NOS3 P29474 1/20 0.34

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
SCHEMBL20811702 0.88 DAO (0.40) DAORXRARXRBRXRGESR1
SCHEMBL26939102 0.86 KIF11 (0.45) DAOESR1ESR2TAS1R3TAS1R1
SCHEMBL12603811 0.85 DAO (0.51) DAORXRARXRBRXRGESR1
SCHEMBL11932057 0.82 ALDH1A1 (0.38) ESR1ESR2TAS1R3TAS1R1AR
SCHEMBL24196658 0.82 DAO (0.36) DAORXRARXRBRXRGESR1
SCHEMBL29307386 0.80 ESR1 (0.47) ESR1ESR2TAS1R3TAS1R1AR
SCHEMBL24987667 0.80 EPHX2 (0.42) DAOESR1ESR2EPHX2AR
SCHEMBL19347692 0.79 RAB9A (0.49) RXRARXRBESR1ESR2EPHX2
SCHEMBL11932055 0.79 ESR1 (0.38) ESR1ESR2EPHX2TAS1R3TAS1R1
SCHEMBL15747030 0.77 DAO (0.36) DAORXRARXRBRXRGESR1

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
WO-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 — — WO disclosed
US-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. 2019-03-14 — — 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 (1 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-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF TNNI3, TNNT2, TNNC1 DAO 3291/4885RXRA 4065/4885RXRB 4087/4885

“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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