SCHEMBL18092970

SCHEMBL18092970

O=C(CCC1CC1)C1=CC2(CCCC2)CCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ BCHE P06276 2/20 0.31
▸ ACHE P22303 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL5572872 0.83 PTGS2 (0.32) KMT2ABCHEACHESMN1; SMN2LMNA
SCHEMBL19277947 0.75 — —
SCHEMBL7776081 0.75 — —
SCHEMBL7776631 0.74 MEN1 (0.30) KMT2AALDH1A1
SCHEMBL7776052 0.74 — —
SCHEMBL19277430 0.69 — —
SCHEMBL417350 0.69 OAT (0.37) KMT2ALMNATSHRKDM4E
SCHEMBL19277433 0.69 — —
SCHEMBL22563074 0.65 CTSK (0.32) HTT
SCHEMBL5573120 0.65 PTGS2 (0.32) BCHEACHE

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
US-20170283342-A1 ORGANIC COMPOUNDS Givaudan, S.A. (CH) 2017-10-05 — — US claimed
EP-3060535-B1 PROCESS FOR THE CYCLOPROPANATION OF OLEFINS USING N-ALKYL-N-NITROSO COMPOUNDS GIVAUDAN SA (CH) 2020-08-05 — — EP disclosed
US-20170283342-A1 ORGANIC COMPOUNDS Givaudan, S.A. (CH) 2017-10-05 — — US disclosed
US-9718741-B2 Organic compounds Givaudan, S.A. (CH) 2017-08-01 — — US disclosed
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-09-29 — — 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-20170283342-A1 ORGANIC COMPOUNDS NOC2L, NOS2, NCL KMT2A 912/4885BCHE 4256/4885ACHE 3514/4885
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS NOC2L, NPM1, NOS2 KMT2A 1178/4885BCHE 3763/4885ACHE 2798/4885

“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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