SCHEMBL16307950

SCHEMBL16307950

Cc1cc(C)c(N2CN(c3c(C)cc(C)cc3C)C(c3ccccc3)=N2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PSMB5 P28074 2/20 0.36
▸ MAOB P27338 4/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL20960631 0.76 ALDH1A1 (0.58) ALDH1A1RECQLADORA3GAALMNA
SCHEMBL23894717 0.75 L3MBTL1 (0.37) ALDH1A1RECQLPSMB5MAOBL3MBTL1
SCHEMBL919720 0.72 MEN1 (0.38) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL852946 0.71 NPC1 (0.47) MAOBADORA3L3MBTL1KDM4ERAB9A
Iodide SCHEMBL11899495 0.69 NPC1 (0.46) MAOBADORA3L3MBTL1KDM4ERAB9A
SCHEMBL24383800 0.69 RAB9A (0.41) ALDH1A1MAOBL3MBTL1GAADPP4
SCHEMBL2624191 0.68 HTR7 (0.38) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL19259323 0.67 ALDH1A1 (0.36) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL16307938 0.65 MAPT (0.41) MAOBL3MBTL1KDM4ERAB9AMAPT
SCHEMBL12938610 0.65 AVPR1A (0.51) GLAKMT2AHPGD

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-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 — — US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 — — 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C ALDH1A1 21/4885RECQL 4111/4885PSMB5 4686/4885

“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.

Send feedback