SCHEMBL19987524

SCHEMBL19987524

CCOc1ccc(C(C)(C)CC)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDK2 Q15119 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL19987569 0.87 NQO1 (0.41) NQO1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL18120375 0.86 NQO1 (0.46) NQO1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL19987447 0.84 KIF11 (0.48) CA12CA1CYP1A2CA7CA9
SCHEMBL22043398 0.83 AGER (0.40) MEN1NPC1KMT2ATP53MAPT
SCHEMBL11443428 0.79 LTA4H (0.46) NQO1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL22043136 0.79 NQO1 (0.43) NQO1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL17552743 0.76 RIPK1 (0.41) CYP3A4ALDH1A1KDM4E
SCHEMBL22043401 0.76 GLA (0.45) NQO1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL15135202 0.75 FFAR1 (0.42) MAPTFFAR1FFAR4KDM4E
SCHEMBL1547853 0.75 NQO1 (0.56) NQO1MEN1NPC1KMT2AAPOBEC3G

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NQO1 47/4885MEN1 2234/4885NPC1 2350/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NQO1 47/4885MEN1 2234/4885NPC1 2350/4885

“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.