SCHEMBL6839732

SCHEMBL6839732

CCCCCCc1ccc(C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL6839675 0.94 ALDH1A1 (0.50) CYSLTR2CYSLTR1ALDH1A1KDM4ELMNA
SCHEMBL15261348 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A
SCHEMBL6839674 0.89 ALDH1A1 (0.51) CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A
SCHEMBL6841594 0.87 MMP8 (0.49) ALDH1A1KDM4ELMNATHRBMEN1
SCHEMBL9380404 0.86 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A
SCHEMBL9379104 0.85 ALDH1A1 (0.51) CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A
SCHEMBL7904948 0.82 ALDH1A1 (0.51) CYSLTR2CYSLTR1ALDH1A1ESR1MEN1
SCHEMBL27994082 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A
SCHEMBL903613 0.81 S1PR1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL271585 0.81 MMP8 (0.59) ALDH1A1ESR1LMNACYP3A4HSD17B10

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 CYSLTR2 865/4885CYSLTR1 1247/4885ALDH1A1 1699/4885

“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.