SCHEMBL23949230

SCHEMBL23949230

CCC1COc2ccc(C(C)C)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CA2 P00918 2/20 0.40
FFAR1 O14842 5/20 0.39
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR6 P50406 1/20 0.38
MTNR1A P48039 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL26075324 0.80 LTB4R (0.44) LTB4RLTB4R2FFAR1HTR6DRD2
SCHEMBL23949380 0.79 LTB4R (0.41) LTB4RLTB4R2
SCHEMBL8282396 0.79 CA2 (0.59) CA2FFAR1POLBESR2HTR6
SCHEMBL5917900 0.78 CA2 (0.42) CA2POLBESR2HTR6MTNR1A
SCHEMBL17150883 0.78 CA2 (0.51) CA2FFAR1POLBESR2HTR6
SCHEMBL23775858 0.78 ALDH1A1 (0.49) LTB4RLTB4R2POLB
SCHEMBL16089590 0.78 CA2 (0.58) CA2FFAR1DRD2DRD4DRD3
SCHEMBL24630678 0.75 LTB4R (0.39) LTB4RLTB4R2
SCHEMBL21533920 0.75 CHRNB4 (0.41)
SCHEMBL24257142 0.75 LTB4R (0.38) LTB4RLTB4R2FFAR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 LTB4R 3577/4885LTB4R2 3761/4885CA2 3721/4885

“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.