SCHEMBL5158063

SCHEMBL5158063

Cc1cc(Cl)cc2c1OCCC2C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
P2RX7 Q99572 3/20 0.39
AKR1B1 P15121 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL8795384 0.85 PTGDR2 (0.42) PTGDR2
SCHEMBL11005729 0.85 HSPA1A (0.37) PTGDR2PTGS2PTGS1
SCHEMBL27951692 0.77 ADRA2A (0.47) PTGDR2P2RX7
SCHEMBL27490447 0.75 AR (0.32) P2RX7AKR1B1
SCHEMBL1846189 0.73 MAP3K14 (0.50) PTGDR2
SCHEMBL5156684 0.72 KDM4C (0.44) PTGDR2
SCHEMBL11164856 0.71 PTGDR2 (0.42) PTGDR2AKR1B1
SCHEMBL27833962 0.71 PTGDR2 (0.47) PTGDR2
SCHEMBL8794695 0.71 KDM4E (0.39) P2RX7
SCHEMBL20480108 0.71 ADRA2A (0.47) PTGDR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 EP claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 EP 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 PTGDR2 759/4885P2RX7 232/4885AKR1B1 1233/4885

“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.