SCHEMBL5162275

SCHEMBL5162275

CC1CC(C(=O)O)c2cc(Cl)c(Cl)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 13/20 0.44
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9432259 0.84 SLC6A4 (0.40) AKR1B1
SCHEMBL9535853 0.76 AKR1B1 (0.46) AKR1B1TDP1
SCHEMBL9818844 0.74 POLB (0.42) AKR1B1TDP1
SCHEMBL9818841 0.74 POLB (0.42) AKR1B1TDP1
Urea SCHEMBL10578369 0.73 AKR1B1 (0.43) AKR1B1TDP1
SCHEMBL5161004 0.71 PTGDR2 (0.51)
SCHEMBL3525961 0.66 KMT2A (0.39)
SCHEMBL4627337 0.65 POLB (0.39) AKR1B1
SCHEMBL31110943 0.65 PARP1 (0.36) AKR1B1TDP1
SCHEMBL14059983 0.64 PBRM1 (0.56) AKR1B1TDP1

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-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-5294635-A Heterocyclic compounds as aldose reductase inhibitors PFIZER, INC. (US) 1994-03-15 US disclosed
EP-0530198-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1993-03-10 EP disclosed
WO-1991015491-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed
US-5039672-A Administering enzyme inhibitors to control diabetes PFIZER INC. (US) 1991-08-13 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 AKR1B1 1233/4885TDP1 4260/4885

“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.