SCHEMBL20154440

SCHEMBL20154440

CCCCCCC(C)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.40
DPP4 P27487 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
S1PR1 P21453 1/20 0.38
ADRB2 P07550 1/20 0.38
LMNA P02545 1/20 0.37
IDO1 P14902 1/20 0.37
CCR2 P41597 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL21124971 0.88 AKR1C3 (0.41) SLC6A3DPP4POLBL3MBTL1AKR1C3
SCHEMBL21466515 0.84 UBE2M (0.38) AKR1C3AKR1C2SLC6A4
SCHEMBL21124958 0.82 AKR1C3 (0.46) POLBL3MBTL1AKR1C3AKR1C2S1PR1
SCHEMBL22561848 0.81 RORC (0.38) ADRB2
SCHEMBL20178578 0.80 ALDH1A1 (0.43) PPARGPPARAAKR1C3AKR1C2
SCHEMBL19464644 0.78 AR (0.53)
SCHEMBL19820209 0.77 AKR1C3 (0.42) SLC6A3DPP4PTGESALOX5PPARG
SCHEMBL21124509 0.76 PDE2A (0.39) AKR1C3AKR1C2S1PR1ADRB2
SCHEMBL20178581 0.76 THRA (0.41) S1PR1
SCHEMBL21125230 0.75 AKR1C3 (0.43) SLC6A3DPP4PTGESALOX5PPARG

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-10398703-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 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-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SLC6A3 929/4885DPP4 747/4885PTGES 341/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 SLC6A3 929/4885DPP4 747/4885PTGES 341/4885

“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.