SCHEMBL12422641

SCHEMBL12422641

CC(CP)(CP)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
TAAR1 Q96RJ0 2/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
KCNN4 O15554 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
SLC6A2 P23975 1/20 0.36

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
SCHEMBL10808021 0.76 CYP2C19 (0.54) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL599044 0.76 CYP2C19 (0.54) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL16192493 0.75 TAAR1 (0.43) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL10477456 0.74 CYP2C19 (0.52) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL4302387 0.74 CYP2C19 (0.52) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL9505717 0.74 TAAR1 (0.65) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL245863 0.74 CYP2C19 (0.58) CYP2C19HIF1ATAAR1MAPK1ALDH1A1
SCHEMBL766983 0.72 KIF11 (0.46) CYP2C19TAAR1MAPK1ALDH1A1KCNN4
SCHEMBL10601271 0.72 TAAR1 (0.56) CYP2C19HIF1ATAAR1MAPK1ESR1
Iodide SCHEMBL660827 0.70 KIF11 (0.44) CYP2C19TAAR1MAPK1ALDH1A1KCNN4

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
EP-2282986-B1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2017-04-19 EP disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
WO-2009144197-A1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2009-12-03 WO disclosed
WO-2009124897-A1 COMPLEX COMPOUND CONTAINING A METAL ATOM AND PHOSPHINE DERIVATIVE AS THE LIGAND BASF SE (DE) 2009-10-15 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-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides CBR3, HRH3, HRH4 CYP2C19 950/4885HIF1A 1942/4885TAAR1 380/4885

“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.