SCHEMBL3325788

SCHEMBL3325788

COc1cccc(F)c1Oc1cc(Cl)ccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SRC P12931 2/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ TLR6 Q9Y2C9 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AR P10275 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37

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
SCHEMBL22809701 0.85 SCN8A (0.48) ERN1ALDH1A1HPGDTDP1SCN8A
SCHEMBL22809650 0.85 SCN8A (0.47) ERN1ALDH1A1KMT2ATDP1SCN8A
SCHEMBL25333361 0.81 AR (0.48) ERN1ALDH1A1SRCTLR2TLR1
SCHEMBL4509584 0.80 TDP1 (0.44) ERN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL3326771 0.80 CXCL12 (0.43) ALDH1A1HPGDKMT2AARLMNA
SCHEMBL18570618 0.78 SCN8A (0.47) ERN1ALDH1A1SRCHPGDL3MBTL1
SCHEMBL1570210 0.78 ALDH1A1 (0.63) ERN1ALDH1A1SRCTLR2TLR1
SCHEMBL19563667 0.77 ALDH1A1 (0.50) ERN1ALDH1A1SRCHPGDTDP1
SCHEMBL22809684 0.74 SCN8A (0.51) ERN1ALDH1A1SRCTLR2TLR1
SCHEMBL5991434 0.73 SCN8A (0.45) ERN1ALDH1A1HPGDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 — — US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 — — EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 — — 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 (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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 ERN1 2647/4885ALDH1A1 128/4885SRC 4201/4885

“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.

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