SCHEMBL2056936

SCHEMBL2056936

Cc1cc2cccc(C(F)(F)F)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CBR1 P16152 1/20 0.36
AKR1C3 P42330 1/20 0.36
MAOB P27338 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL10204209 0.83 MAOA (0.42) MAOACYP1A2MAOBALDH1A1MAPT
SCHEMBL26160373 0.79 P2RX7 (0.37) CBR1AKR1C3HSD17B1HSD17B2NOTUM
SCHEMBL14197691 0.76 CA1 (0.38) MAOACYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL2304841 0.75 CA12 (0.49) MAOAMAOBALDH1A1CRBNKDM4E
SCHEMBL4428324 0.74 MAOB (0.58) MAOACYP1A2MAOBALDH1A1
SCHEMBL25405453 0.74 CYP2A6 (0.47) CBR1AKR1C3HSD17B1HSD17B2ALDH1A1
SCHEMBL11844506 0.74 MAOB (0.58) MAOACYP1A1CYP1A2CYP1B1CBR1
SCHEMBL24896563 0.73 PIM1 (0.49) MAOACBR1AKR1C3ALDH1A1HDAC3
SCHEMBL5003621 0.72 MAOA (0.59) MAOACBR1AKR1C3MAOBKDM4E
SCHEMBL28216575 0.71 L3MBTL1 (0.40) CBR1AKR1C3HSD17B1HSD17B2HDAC3

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-2023076237-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MAOA 716/4885CYP1A1 905/4885CYP1A2 1036/4885

“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.