SCHEMBL4123145

SCHEMBL4123145

C=Cc1cc(C(=O)O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
HTR7 P34969 1/20 0.43
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4096586 0.85 LMNA (0.49) ERN1LMNAMAPK1HTTRAB9A
SCHEMBL4133325 0.83 CES2 (0.39) ERN1HTR7TSHRCES2CES1
SCHEMBL1955496 0.82 ERN1 (0.58) ERN1LMNAMAPK1HTTRAB9A
SCHEMBL4129229 0.79 ERN1 (0.50) ERN1LMNAMAPK1HTTRAB9A
SCHEMBL20769169 0.78 CA1 (0.57) ERN1LMNAMAPK1HTTRAB9A
SCHEMBL605638 0.78 KDM4E (0.47) HTR7TSHRTP53KDM4EGAA
SCHEMBL29598455 0.78 KDM4E (0.47) HTR7TSHRTP53KDM4EGAA
Lithium SCHEMBL31456603 0.77 KDM4E (0.46) HTR7TSHRTP53KDM4EGAA
SCHEMBL28254490 0.77 CDC25B (0.50) LMNAHTTHTR7TSHRTP53
SCHEMBL8528733 0.77 TSHR (0.47) LMNAMAPK1HTTRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 CN disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ERN1 3561/4885LMNA 4545/4885MAPK1 1369/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ERN1 3561/4885LMNA 4545/4885MAPK1 1369/4885

“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.