Sugi Predict

Sugi Predict / Compounds / SCHEMBL12619982

SCHEMBL12619982

SCHEMBL12619982

[C-]#[N+]c1ccc([Co](=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.41
▸ CA2 P00918 7/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL377256 0.84 CA1 (0.58) CA1CA2CA9CA7CA12
SCHEMBL8980208 0.82 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL3139320 0.82 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL9975758 0.79 ACHE (0.33) ACHETDP1
SCHEMBL12619980 0.76 ACHE (0.65) CA1CA2CA9CA7CA12
SCHEMBL12786310 0.74 RXFP1 (0.59) CA1CA2ALDH1A1CES2CES1
SCHEMBL13236887 0.69 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL13338785 0.68 SLC2A1 (0.43) CA1CA2CA9CA7CA12
SCHEMBL11604292 0.65 ALDH1A1 (0.41) CA1CA2CA9ALDH1A1TDP1
SCHEMBL10295996 0.64 MMP2 (0.41) CA1CA2CA9CA12ALDH1A1

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 15 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-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 — — US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 — — US disclosed
US-7951434-B2 Polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2011-05-31 — — 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-7754889-B2 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-13 — — US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 — — US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 — — US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090103013-A1 Polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2009-04-23 — — US disclosed
US-7473793-B2 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 — — US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 — — US disclosed
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-28 — — US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 — — 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 (6 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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CA1 2208/4885CA2 2980/4885CA9 2420/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 CA1 1609/4885CA2 2530/4885CA9 1991/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 CA1 1609/4885CA2 2530/4885CA9 1991/4885
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone ADH1C, ADH1A, ADH5 CA1 2141/4885CA2 1965/4885CA9 2860/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH CA1 1750/4885CA2 690/4885CA9 828/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CA1 2208/4885CA2 2980/4885CA9 2420/4885

“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.