SCHEMBL1495918

SCHEMBL1495918

Cc1cc(C(=O)O)ccc1OCCCC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.44
WDR5 P61964 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G2A P14555 1/20 0.42

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
Water SCHEMBL5548455 0.97 THRA (0.46) THRATHRBMRGPRX4MEN1KMT2A
Water SCHEMBL5548452 0.96 THRA (0.45) THRATHRBMRGPRX4MEN1KMT2A
SCHEMBL1495966 0.87 MGLL (0.46) THRATHRBMEN1KMT2ARAB9A
SCHEMBL28781347 0.86 PLA2G2D (0.52) THRATSHR
SCHEMBL9623925 0.81 POLB (0.55) THRATHRBMRGPRX4WDR5ALOX15
SCHEMBL558236 0.81 PTPN11 (0.47)
SCHEMBL18165160 0.80 CA12 (0.47) MRGPRX4RAB9AWDR5ALOX15TSHR
SCHEMBL18720317 0.79 PLA2G4B (0.57) TP53ALOX15TSHR
SCHEMBL12492289 0.79 RARB (0.52) THRATHRBMRGPRX4WDR5KDM4E
SCHEMBL17931010 0.79 WDR5 (0.63) THRATHRBWDR5TP53TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US 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
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-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 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
CN-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US 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
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 THRA 127/4885THRB 740/4885MRGPRX4 298/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B THRA 127/4885THRB 740/4885MRGPRX4 298/4885

“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.