SCHEMBL22494094

SCHEMBL22494094

CCCCCCCC/C=C\CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.61
MTNR1B P49286 3/20 0.48
SOAT2 O75908 1/20 0.45
SOAT1 P35610 1/20 0.45
TBXA2R P21731 1/20 0.43
FAAH O00519 2/20 0.43
EPHX2 P34913 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
OXER1 Q8TDS5 1/20 0.41

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
SCHEMBL22525292 0.98 ACE (0.59) ACEMTNR1BSOAT2SOAT1FAAH
SCHEMBL3609218 0.93 ACE (0.70) ACEMTNR1B
SCHEMBL22494107 0.89 ACE (0.60) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL22494121 0.89 ACE (0.60) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL22494104 0.89 ACE (0.60) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL22525274 0.87 ACE (0.58) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL22494114 0.87 ACE (0.58) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL22494116 0.87 ACE (0.58) ACESOAT2SOAT1TBXA2RFAAH
SCHEMBL9221105 0.82 ACE (0.68) ACEMTNR1B
SCHEMBL3612165 0.79 ACE (0.50) ACEMTNR1B

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-11365177-B2 Chemical uncouplers of respiration and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-21 US disclosed
US-11365177-B2 Chemical uncouplers of respiration and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-21 US disclosed
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 US disclosed
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 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-11365177-B2 Chemical uncouplers of respiration and methods of use thereof PC, UQCRC1, SQOR ACE 1610/4885MTNR1B 484/4885SOAT2 1133/4885
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF PC, UQCRC1, SQOR ACE 1610/4885MTNR1B 484/4885SOAT2 1133/4885

“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.