SCHEMBL7120216

SCHEMBL7120216

C=CC(C)(C)c1cc(C#N)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.38
PTPN1 P18031 5/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4D Q08499 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
SCHEMBL12468525 0.83 PTPN1 (0.40) PTPN1NR1I2ALDH1A1LMNACYP2C9
SCHEMBL5368308 0.80 ALDH1A1 (0.57) P4HBTRPV4CA12CA2CA3
SCHEMBL29437966 0.80 ALDH1A1 (0.57) P4HBTRPV4CA12CA2CA3
SCHEMBL11376800 0.78 L3MBTL1 (0.45) P4HBTRPV4CA12CA2CA3
SCHEMBL8388812 0.77 KDM1A (0.42) P4HBTRPV4CA12CA2CA3
SCHEMBL11216770 0.74 TRPV4 (0.38) P4HBTRPV4CA12CA2CA3
SCHEMBL29198614 0.72 KDM4E (0.50) PTPN1NR1I2ALDH1A1LMNACYP2C9
SCHEMBL524173 0.72 P4HB (0.56) P4HBTRPV4CA12CA2CA3
SCHEMBL26394625 0.72 KIF11 (0.53) CA12CA2CA3CA6CA9
SCHEMBL2331670 0.71 AR (0.50) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 P4HB 1826/4885PTPN1 2229/4885TRPV4 2599/4885

“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.