SCHEMBL12303902

SCHEMBL12303902

[C-]#[N+]c1ccc(C(C)C)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ RORC P51449 1/20 0.34
▸ PDE2A O00408 3/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ AR P10275 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ SCN9A Q15858 2/20 0.31

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
SCHEMBL13377157 0.77 LMNA (0.34) TRPA1
SCHEMBL10105630 0.76 PDE2A (0.34) PDE2ATRPA1
SCHEMBL10232891 0.76 ALKBH5 (0.37) NOTUMPDE3BPDE3APDE2AS1PR1
SCHEMBL10297531 0.75 AR (0.38) AR
SCHEMBL10232900 0.75 RXRA (0.46) S1PR1TRPA1SCN9A
SCHEMBL10232889 0.73 MPL (0.37) AR
SCHEMBL11993201 0.73 ALDH1A1 (0.38) TRPA1
SCHEMBL10624896 0.73 NOTUM (0.44) NOTUMPDE3BPDE3ARORCPDE2A
SCHEMBL4547922 0.73 NOTUM (0.44) NOTUMPDE3BPDE3ARORCPDE2A
SCHEMBL8291096 0.73 PDE2A (0.50) NOTUMPDE3BPDE3ARORCPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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 (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-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 NOTUM 3365/4885PDE3B 914/4885PDE3A 1251/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E NOTUM 2576/4885PDE3B 1758/4885PDE3A 2726/4885

“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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