SCHEMBL12374980

SCHEMBL12374980

COCCN1CCC(CC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
KDM1A O60341 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KAT2B Q92831 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HSD11B1 P28845 1/20 0.32
ADORA2A P29274 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 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
SCHEMBL12449623 0.89 KDM1A (0.38) GBA1KDM1AALDH1A1KCNH2CACNA1I
SCHEMBL19958997 0.84 KCNH2 (0.42) LTA4HKCNH2CACNA1ICARM1PRMT6
SCHEMBL23205833 0.83 ALDH1A1 (0.39) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL23179007 0.83 KCNH2 (0.39) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL12458880 0.81 GBA1 (0.38) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL18082565 0.81 GBA1 (0.38) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL1999164 0.80 GBA1 (0.47) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL11972716 0.80 NCF1 (0.45) GBA1KDM1ALTA4HALDH1A1MEN1
SCHEMBL29008005 0.80 LTA4H (0.39) LTA4HMEN1MAPK1KMT2AKCNH2
SCHEMBL14211871 0.79 CACNA1I (0.40) KCNH2CACNA1ICARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 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 (4 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-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL GBA1 4507/4885KDM1A 1842/4885LTA4H 2580/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG GBA1 2060/4885KDM1A 2593/4885LTA4H 3708/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL GBA1 4507/4885KDM1A 1842/4885LTA4H 2580/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC GBA1 3798/4885KDM1A 3507/4885LTA4H 4189/4885

“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.