SCHEMBL1306992

SCHEMBL1306992

CN1CCCC1CCN(C/C(=C\c1ccc(C(=O)O)cc1)COc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 16/20 0.46
▸ P2RX3 P56373 2/20 0.43
▸ F10 P00742 1/20 0.40
▸ F7 P08709 1/20 0.40

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
SCHEMBL1306990 1.00 ACKR3 (0.46) ACKR3P2RX3F10F7
SCHEMBL1306993 1.00 ACKR3 (0.46) ACKR3P2RX3F10F7
SCHEMBL3815391 0.88 ACKR3 (0.44) ACKR3P2RX3F10F7
SCHEMBL1305459 0.87 P2RX3 (0.60) ACKR3P2RX3F10F7
SCHEMBL1306704 0.84 P2RX3 (0.40) P2RX3
SCHEMBL1306626 0.84 P2RX3 (0.40) P2RX3
SCHEMBL1306624 0.84 P2RX3 (0.40) P2RX3
SCHEMBL1305389 0.81 TSHR (0.38) P2RX3
SCHEMBL1305391 0.81 TSHR (0.38) P2RX3
SCHEMBL1305386 0.81 TSHR (0.38) P2RX3

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
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 ACKR3 4452/4885P2RX3 4630/4885F10 4792/4885

“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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