SCHEMBL3018220

SCHEMBL3018220

C[C@@H](C(C)(C)C)[C@@](O)(NC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL935057 0.71 SSTR4 (0.53) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL28905042 0.71 HDAC3 (0.50) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL14637439 0.71 ADRB2 (0.44) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL4323383 0.70 SSTR4 (0.51) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL26907235 0.69 CYP3A4 (0.49) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL10749410 0.69 CYP1A2 (0.49) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL29793498 0.68 HDAC3 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL11035564 0.68 CYP1A2 (0.50) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL3399979 0.68 POLB (0.50) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL17586598 0.67 ALDH1A1 (0.41) CYP2C19HIF1AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 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 (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-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 CYP2C19 1289/4885HIF1A 4421/4885HDAC3 4751/4885

“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.