SCHEMBL19056871

SCHEMBL19056871

CCCCC1CCc2ccc3ccc(C)nc3c2N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL19056884 0.86 PARP1 (0.32) —
SCHEMBL19056872 0.85 KCNH2 (0.31) —
SCHEMBL19056914 0.84 PRKD3 (0.30) —
SCHEMBL19056880 0.82 SLC40A1 (0.39) CCR1CCR5LMNAHTT
SCHEMBL19511225 0.82 AR (0.36) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL19511212 0.78 AR (0.35) MEN1ALDH1A1KMT2A
SCHEMBL19056900 0.76 CCR1 (0.42) CCR1RAB9ACCR5
SCHEMBL19056890 0.76 KCNH2 (0.32) —
SCHEMBL19511293 0.75 AR (0.33) —
SCHEMBL19511941 0.72 PRKCG (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573941-B Novel 4th group transition metal compound and application thereof 韩华化学株式会社 2019-07-12 — — CN disclosed
EP-3187499-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORP (KR) 2019-04-24 — — EP disclosed
US-10160775-B2 Group 4 transition metal compound and use thereof HANWHA CHEMICAL CORPORATION (KR) 2018-12-25 — — US disclosed
US-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORPORATION (KR) 2017-08-17 — — US disclosed
EP-3187499-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF Hanwha Chemical Corporation (KR) 2017-07-05 — — 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 (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-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF TRPV4, TRPM4, MORF4L1 CCR1 2517/4885RAB9A 4678/4885CCR5 825/4885
US-10160775-B2 Group 4 transition metal compound and use thereof TRPV4, TRPM4, MORF4L1 CCR1 2202/4885RAB9A 4729/4885CCR5 798/4885

“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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