SCHEMBL19220179

SCHEMBL19220179

C=Cc1[nH]c(C)c(C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALK Q9UM73 1/20 0.41
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
FLT3 P36888 5/20 0.36
FLT4 P35916 4/20 0.36
KDR P35968 4/20 0.36
KIT P10721 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NOTUM Q6P988 1/20 0.35
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
AURKA O14965 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
AURKB Q96GD4 1/20 0.32
AURKC Q9UQB9 1/20 0.32

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
SCHEMBL394139 0.83 ALDH1A1 (0.46) ALDH1A1ALKGAAMAPTFLT3
SCHEMBL27307246 0.78 GAA (0.44) ALDH1A1ALKGAAMAPTFLT3
SCHEMBL11584471 0.73 ALDH1A1 (0.52) ALDH1A1ALKGAACYP1A2CYP3A4
SCHEMBL71362 0.70 NOTUM (0.48) ALDH1A1GAACYP1A2CYP3A4NOTUM
SCHEMBL5513393 0.70 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2CYP3A4NOTUM
SCHEMBL7059773 0.69 RAB9A (0.42) ALDH1A1ALKGAAMAPTFLT3
SCHEMBL30630152 0.68 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP3A4NOTUM
SCHEMBL27774758 0.68 ALDH1A1 (0.47) ALDH1A1ALKGAAMAPTCYP1A2
SCHEMBL27474631 0.68 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP3A4NOTUM
SCHEMBL7717391 0.68 ALDH1A1 (0.34) ALDH1A1ALKFLT3FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037419-B1 COMPOSITIONS OF KINASE INHIBITORS AND THEIR USE FOR TREATMENT OF CANCER AND OTHER DISEASES RELATED TO KINASES BOSTON BIOMEDICAL INC (US) 2019-09-04 EP disclosed
US-20180022743-A1 COMPOSITIONS OF KINASE INHIBITORS AND THEIR USE FOR TREATMENT OF CANCER AND OTHER DISEASES RELATED TO KINASES BOSTON BIOMEDICAL INC (US) 2018-01-25 US disclosed
US-9725444-B2 Compositions of kinase inhibitors and their use for treatment of cancer and other diseases related to kinases BOSTON BIOMEDICAL, INC (US) 2017-08-08 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-20180022743-A1 COMPOSITIONS OF KINASE INHIBITORS AND THEIR USE FOR TREATMENT OF CANCER AND OTHER DISEASES RELATED TO KINASES CILK1, MKNK1, MKNK2 ALDH1A1 2633/4885ALK 2084/4885GAA 2635/4885

“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.