SCHEMBL17014698

SCHEMBL17014698

CC(C)c1cc(C(=O)O)ccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACE2 Q9BYF1 2/20 0.45
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PDE4A P27815 6/20 0.43
PDE4B Q07343 5/20 0.43

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
SCHEMBL14297588 0.87 RXRA (0.51) HTTRAB9ALMNAMAPK1CA12
SCHEMBL8555020 0.87 RXRA (0.53) HTTRAB9ALMNAMAPK1CA12
SCHEMBL4311646 0.86 PDE4A (0.46) HTTRAB9ATSHRKDM4EPDE4A
SCHEMBL4695867 0.81 CA12 (0.65) HTTRAB9ALMNAMAPK1CA12
SCHEMBL1029279 0.81 PDE4A (0.59) HTTRAB9ALMNAMAPK1CA12
SCHEMBL7362652 0.81 PDE4A (0.52) HTTRAB9ALMNAMAPK1CA12
SCHEMBL21079189 0.81 PDE4A (0.52) HTTRAB9ALMNAMAPK1CA12
SCHEMBL21079315 0.81 KMT2A (0.50) HTTRAB9ALMNAMAPK1CA12
SCHEMBL17020098 0.80 HTT (0.49) HTTRAB9ALMNAMAPK1CA12
SCHEMBL17014699 0.79 RAB9A (0.45) HTTRAB9ALMNAMAPK1CA12

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-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 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-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN HTT 3159/4885RAB9A 2172/4885LMNA 4817/4885

“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.