SCHEMBL3215683

SCHEMBL3215683

Cc1cc2ccccc2c2c1op(N1CCCCC1)oc1c(C)cc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ GAA P10253 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PRKDC P78527 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ TSHR P16473 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
SCHEMBL13425164 0.76 CYP1A2 (0.41) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL30664412 0.75 ALDH1A1 (0.42) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL15422481 0.75 ALDH1A1 (0.42) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL14001428 0.75 ALDH1A1 (0.42) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL14144361 0.74 CYP1A2 (0.40) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2847420 0.72 CYP1A2 (0.38) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL26634699 0.71 CYP1A2 (0.47) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL26199979 0.70 — —
SCHEMBL10109864 0.68 HNF4A (0.45) KDM4EGAAL3MBTL1ALDH1A1HPGD
SCHEMBL11988006 0.68 ALDH1A1 (0.35) KDM4EGAAL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-03-18 — — US claimed
EP-2094624-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSMIP Assets B.V. (NL) 2009-09-02 — — EP claimed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 — — EP claimed
WO-2008077610-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2008-07-03 — — WO claimed
WO-2018060512-A1 PROCESS FOR PREPARING CHIRAL AMINES PATHEON AUSTRIA GMBH & CO KG (AT) 2018-04-05 — — WO disclosed
EP-3301087-A1 PROCESS FOR PREPARING CHIRAL AMINES DPx Fine Chemicals Austria GmbH & Co KG (AT) 2018-04-04 — — EP disclosed
US-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-03-18 — — US disclosed
EP-2094624-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSMIP Assets B.V. (NL) 2009-09-02 — — EP disclosed
WO-2008077610-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2008-07-03 — — WO disclosed
EP-1830958-A1 PROCESS FOR TRANSITION METAL-CATALYZED ASYMMETRIC HYDROGENATION OF ACRYLIC ACID DERIVATIVES, AND A NOVEL CATALYST SYSTEM FOR ASYMMETRIC TRANSITION METAL CATALYSIS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2007-09-12 — — EP disclosed
WO-2006069617-A1 PROCESS FOR TRANSITION METAL-CATALYZED ASYMMETRIC HYDROGENATION OF ACRYLIC ACID DERIVATIVES, AND A NOVEL CATALYST SYSTEM FOR ASYMMETRIC TRANSITION METAL CATALYSIS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2006-07-06 — — WO 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-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS PDHB, ME1, PDHA1 KDM4E 1268/4885GAA 3620/4885L3MBTL1 2465/4885

“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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