SCHEMBL14720629

SCHEMBL14720629

CC(C(=O)OC1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ METAP2 P50579 2/20 0.47
▸ METAP1 P53582 2/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ACP3 P15309 1/20 0.45
▸ CASP1 P29466 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL14720630 1.00 CYP19A1 (0.52) CYP19A1METAP2METAP1MEN1KMT2A
SCHEMBL28968076 0.82 CYP19A1 (0.56) CYP19A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL10901068 0.77 CYP19A1 (0.73) CYP19A1MEN1KMT2ALMNACYP2D6
SCHEMBL16811757 0.76 CASP1 (0.49) MEN1KMT2ACASP1LMNASSTR4
SCHEMBL10920938 0.76 CASP1 (0.49) MEN1KMT2ACASP1LMNASSTR4
SCHEMBL7038146 0.76 ACP3 (0.39) METAP2METAP1MEN1KMT2AACP3
SCHEMBL7802112 0.76 KCNA5 (0.52) METAP2METAP1MEN1KMT2AMAPT
SCHEMBL7871934 0.76 ACP3 (0.44) METAP2METAP1ACP3SSTR4
SCHEMBL8095115 0.75 ACP3 (0.39) CYP19A1METAP2METAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7799081 0.75 KCNA5 (0.51) METAP2METAP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 — — US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 — — US disclosed
WO-2013028132-A9 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-08-22 — — WO disclosed
WO-2013028132-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-28 — — 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-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY EPHA8, DAGLA, TEC CYP19A1 2288/4885METAP2 4321/4885METAP1 4599/4885

“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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