SCHEMBL18904682

SCHEMBL18904682

Cc1c(C)c(C)c(C(=O)OCc2ccccc2)c(O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 4/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.49
STAT1 P42224 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.44

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
SCHEMBL31638862 0.92 TDP1 (0.56) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL17965761 0.90 TDP1 (0.61) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643726 0.85 RAB9A (0.50) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643838 0.85 RAB9A (0.58) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643773 0.82 TDP1 (0.51) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL19668874 0.82 TDP1 (0.55) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643659 0.82 RAB9A (0.53) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643650 0.82 RAB9A (0.47) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL31643848 0.81 RAB9A (0.52) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL19831699 0.81 TDP1 (0.63) RAB9ANPC1KMT2ATDP1SLC6A2

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-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 RAB9A 1404/4885NPC1 588/4885KMT2A 4384/4885

“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.