SCHEMBL12985281

SCHEMBL12985281

CCC(C(=O)O)n1cc(-c2cccc(O)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
ALOX5 P09917 1/20 0.44
CYP19A1 P11511 1/20 0.40
CYP17A1 P05093 1/20 0.40
ALB P02768 1/20 0.40
GRIA2 P42262 1/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
MGLL Q99685 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS3 P17931 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
Water SCHEMBL12985936 0.79 SRC (0.41) HSD17B1HSD17B2ALOX5HDAC3HDAC4
SCHEMBL3508024 0.76 JAK2 (0.36) CYP19A1ALBCA2CA9EGLN1
SCHEMBL3510500 0.76 EGLN1 (0.45) ALBCA2CA9EGLN1AKR1C3
SCHEMBL27782051 0.75 HSD17B1 (0.51) HSD17B1HSD17B2ALOX5CYP19A1LGALS1
SCHEMBL18760619 0.74 ALOX5 (0.56) HSD17B1HSD17B2ALOX5CYP19A1LGALS1
SCHEMBL12986809 0.73 ALOX5 (0.56) HSD17B1HSD17B2ALOX5CYP19A1GABRA1
SCHEMBL1646427 0.72 HDAC3 (0.37) CYP19A1ALBCA2CA9EGLN1
Water SCHEMBL16279409 0.72 ALOX5 (0.55) HSD17B1HSD17B2ALOX5CYP19A1HDAC3
SCHEMBL1155990 0.71 KDM4E (0.39) LGALS3HDAC3HDAC4HDAC1HDAC7
SCHEMBL10675822 0.70 KDM4E (0.38)

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-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 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-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK HSD17B1 4204/4885HSD17B2 3989/4885ALOX5 4853/4885

“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.