SCHEMBL5133889

SCHEMBL5133889

C=CC(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
SRD5A2 P31213 4/20 0.44
ANPEP P15144 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALOX15 P16050 1/20 0.41
TPMT P51580 1/20 0.41

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
SCHEMBL3422457 0.85 LMNA (0.41) SRD5A2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL11877213 0.81 TSHR (0.52) TSHRTP53CA1CA2SRD5A2
SCHEMBL10900089 0.81 TSHR (0.52) TSHRTP53CA1CA2SRD5A2
SCHEMBL5576679 0.78 TSHR (0.48) TSHRTP53CA1CA2SRD5A2
SCHEMBL5576092 0.78 TSHR (0.48) TSHRTP53CA1CA2SRD5A2
SCHEMBL2852452 0.78 ANPEP (0.52) TSHRTP53CA1CA2SRD5A2
SCHEMBL9636818 0.78 TSHR (0.48) TSHRTP53CA1CA2SRD5A2
SCHEMBL5640199 0.77 CA1 (0.50) TSHRCA1CA2ALDH1A1CA12
SCHEMBL28550398 0.77 CES1 (0.47) CES2CES1
SCHEMBL1596408 0.77 TSHR (0.67) TSHRTP53CA1CA2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110961-A2 NOVEL CORROSION INHIBITING MATERIALS A J SCIENTIFIC PTY LTD (AU) 2006-10-26 WO claimed
EP-1368016-B1 PARENTERAL DOSAGE FORMS COMPRISING A SUSPENSION OF TRAMADOL SALT AND DICLOFENAC SALT GRUENENTHAL GMBH (DE) 2006-04-19 EP claimed
EP-0126364-B1 METABOLICALLY ACTIVE PREPARATIONS OBTAINED FROM YEAST OF ANY TYPE HASUNOR A.G. (CH) 1987-09-09 EP claimed
US-20160287707-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER NOVARTIS AG (CH) 2016-10-06 US disclosed
CN-102239255-B Improve Perhydrolase to generate for enzymatic peracid E. I. DU PONT DE NEMOURS AND CO. (US) 2015-11-25 CN disclosed
CN-104411822-A Enzymes useful for peracid production DU PONT 2015-03-11 CN disclosed
CN-104364384-A Enzymes useful for peracid production DU PONT 2015-02-18 CN disclosed
CN-104350153-A Enzymes useful for peracid production DU PONT 2015-02-11 CN disclosed
US-20140303145-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20140018346-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER NOVARTIS AG (CH) 2014-01-16 US disclosed
US-20080287417-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER EBNER ANDREAS 2008-11-20 US disclosed
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005097760-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20040077232-A1 Pharmaceutical compositions EBNER ANDREAS (DE) 2004-04-22 US disclosed
EP-1043304-B1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor NIPPON CATALYTIC CHEM IND (JP) 2004-02-25 EP disclosed
EP-1372611-A2 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002076432-A2 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER NOVARTIS AG (CH) 2002-10-03 WO disclosed
US-6444843-B1 CATALYTIC OXIDATION NIPPON SHOKUBAI CO., LTD. (JP) 2002-09-03 US disclosed
EP-1043304-A1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor Nippon Shokubai Co., Ltd. (JP) 2000-10-11 EP disclosed
US-5584917-A POLYSILOXANE WITH TERT-AMINO GROUP; DURABILITY, ONE STEP TREATMENT TAIHO INDUSTRIES CO., LTD. (JP) 1996-12-17 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 (5 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-20140018346-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER SI, SPAST, ADCYAP1R1 TSHR 3298/4885TP53 787/4885CA1 2370/4885
US-20140303145-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER SI, SPAST, ADCYAP1R1 TSHR 3298/4885TP53 787/4885CA1 2370/4885
US-20080287417-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER SI, SPAST, ADCYAP1R1 TSHR 3202/4885TP53 737/4885CA1 2424/4885
US-20160287707-A1 PHARMACEUTICAL COMPOSITION COMPRISING A POORLY WATER-SOLUBLE ACTIVE INGREDIENT, A SURFACTANT AND A WATER-SOLUBLE POLYMER SI, SPAST, ADCYAP1R1 TSHR 3298/4885TP53 787/4885CA1 2370/4885
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses HAVCR2, HCCS, AADAC TSHR 4658/4885TP53 317/4885CA1 4010/4885

“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.