SCHEMBL12786374

SCHEMBL12786374

CC1CC[C@@H](C(C)C)[C@](OP(c2ccccc2)c2ccccc2)(c2ccccn2)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.32
OPRL1 P41146 4/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL12786240 1.00 OPRM1 (0.32) OPRM1OPRL1MEN1ALDH1A1LMNA
SCHEMBL4668738 0.74 CHRM2 (0.45) OPRM1OPRL1MEN1ALDH1A1LMNA
SCHEMBL4647450 0.69 KCNA5 (0.33) MEN1ALDH1A1LMNAKMT2A
SCHEMBL6764772 0.66 PDE10A (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL6764774 0.66 PDE10A (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL5605712 0.65 CCR2 (0.36) ALDH1A1LMNAGAA
SCHEMBL5605708 0.63 HCAR2 (0.39) ALDH1A1LMNAGAA
SCHEMBL337275 0.62 CCR2 (0.36) MEN1KMT2A
SCHEMBL25261882 0.62 CPB1 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2120979 0.61 TP53 (0.36) MEN1ALDH1A1LMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 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-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 OPRM1 1129/4885OPRL1 4104/4885MEN1 2776/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 OPRM1 988/4885OPRL1 3960/4885MEN1 3092/4885

“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.