SCHEMBL1496059

SCHEMBL1496059

COC(=O)c1ccc(C=CC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A2 P23975 1/20 0.41
TBXAS1 P24557 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL1496056 1.00 LCK (0.42) LCKKDM4EHTTLMNANR1I2
SCHEMBL16971192 0.89 NOTUM (0.42) LCKKDM4EHTTLMNANR1I2
SCHEMBL16971191 0.89 NOTUM (0.42) LCKKDM4EHTTLMNANR1I2
SCHEMBL2130625 0.86 TDP1 (0.43) KDM4EHTTLMNANR1I2PGR
SCHEMBL2130629 0.86 TDP1 (0.43) KDM4EHTTLMNANR1I2PGR
SCHEMBL4206326 0.85 CYP3A4 (0.41) KDM4EHTTLMNANR1I2PGR
SCHEMBL4206316 0.85 CYP3A4 (0.41) KDM4EHTTLMNANR1I2PGR
SCHEMBL5385754 0.83 KDM4E (0.46) KDM4EHTTLMNANR1I2PGR
SCHEMBL5385765 0.83 KDM4E (0.46) KDM4EHTTLMNANR1I2PGR
SCHEMBL1187057 0.82 CA12 (0.39) LCKKDM4EHTTLMNANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (2 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B LCK 4849/4885KDM4E 2842/4885HTT 1873/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B LCK 4849/4885KDM4E 2842/4885HTT 1873/4885

“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.