SCHEMBL19965694

SCHEMBL19965694

CCOc1cc(C(C)CC)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MAPT P10636 2/20 0.47
XBP1 P17861 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 8/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18713469 0.88 MAPT (0.45) LMNAMAPTGAAALDH1A1HPGD
SCHEMBL14039594 0.87 TP53 (0.46) LMNAMAPTXBP1GAAALDH1A1
SCHEMBL16961391 0.84 ALDH1A1 (0.41) LMNAMAPTXBP1GAAALDH1A1
SCHEMBL27021902 0.84 ALDH1A1 (0.51) LMNAMAPTGAAALDH1A1HPGD
SCHEMBL19232060 0.82 CYP2C19 (0.40) LMNAMAPTXBP1GAAALDH1A1
SCHEMBL7640424 0.79 ALDH1A1 (0.46) LMNAGAAALDH1A1HTTHPGD
SCHEMBL19987522 0.79 GRIN2B (0.40) GAAALDH1A1HPGDUSP2PKM
SCHEMBL16770733 0.79 ALDH1A1 (0.48) LMNAGAAALDH1A1HTTHPGD
SCHEMBL9963710 0.79 ALDH1A1 (0.48) LMNAGAAALDH1A1HTTHPGD
SCHEMBL27363114 0.79 ALDH1A1 (0.48) LMNAGAAALDH1A1HTTHPGD

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 LMNA 4373/4885MAPT 3241/4885XBP1 3065/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885MAPT 3241/4885XBP1 3065/4885

“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.