SCHEMBL7129680

SCHEMBL7129680

C=CCc1ccc(C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
PTGS2 P35354 5/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
XDH P47989 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL4261067 0.81 PTGS2 (0.44) PTGS2CYP1A2CYP2D6MAPK1HSD17B10
SCHEMBL5326026 0.81 PTGS2 (0.67) PTGS2TSHRKMT2APTGS1LMNA
Hydrogen Peroxide SCHEMBL5496256 0.78 ALDH1A1 (0.58) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
Hydrogen Peroxide SCHEMBL7816450 0.78 ALDH1A1 (0.58) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL9247846 0.78 MMP8 (0.45) PTGS2CYP1A2CYP2D6MAPK1HSD17B10
SCHEMBL7732399 0.78 PTGS2 (0.45) PTGS2CYP1A2CYP2D6MAPK1HSD17B10
SCHEMBL28912418 0.78 CYP2C19 (0.56) PTGS2CYP1A2CYP2D6MAPK1HSD17B10
SCHEMBL271988 0.76 SRC (0.78) SRCPTGS2CYP2D6MAPK1HSD17B10
SCHEMBL28309551 0.76 CYP1A2 (0.45) PTGS2CYP1A2CYP2D6MAPK1HSD17B10
SCHEMBL2209126 0.75 SRC (0.56) SRCPTGS2TSHRPPARGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759103-B2 NEMATIC, CHOLESTERIC OR CHIRAL SMECTIC LIQUID-CRYSTAL MIXTURES HAVING HIGH ABSOLUTE DIELECTRIC ANISOTROPY VALUES AND WITH A FAVORABLE VISCOSITY/CLEARING POINT RELATIONSHIP; PHOTOSTABILITY; HEAT AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCI (BVI) LIMITED (VG) 2004-07-06 US disclosed
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance CLARIANT INTERNATIONAL LTD. 2003-05-15 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 (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-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance SCO2, CNOT1, HCFC1 SRC 2618/4885PTGS2 1920/4885CYP1A2 1720/4885

“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.