SCHEMBL19965680

SCHEMBL19965680

CCCC(C)c1ccc(OCC)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARA Q07869 1/20 0.35
LTA4H P09960 2/20 0.35
ACACB O00763 1/20 0.34
NPC1 O15118 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
SCHEMBL19231932 0.89 MAPT (0.40) NQO1TAS1R3TAS1R1TSHRTDP1
SCHEMBL12303239 0.82 NQO1 (0.50) NQO1TSHRTDP1LTA4H
SCHEMBL26773895 0.81 SCN10A (0.39) TSHR
SCHEMBL31680721 0.79 NQO1 (0.46) NQO1TSHRTDP1ESR1ESR2
SCHEMBL25384115 0.77 NQO1 (0.48) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL17828000 0.77 CCR1 (0.40) TDP1ESR1ESR2
SCHEMBL18885418 0.75 APLNR (0.44) ESR1ESR2
SCHEMBL22808233 0.75 L3MBTL1 (0.48) TSHRTDP1ESR1ESR2NPC1
SCHEMBL22087907 0.74 CASP3 (0.40) TSHR
SCHEMBL18896144 0.74 NQO1 (0.56) NQO1TAS1R3TAS1R1TSHRTDP1

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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NQO1 47/4885TAS1R3 4806/4885TAS1R1 4776/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NQO1 47/4885TAS1R3 4806/4885TAS1R1 4776/4885

“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.