SCHEMBL245947

SCHEMBL245947

C=C(C)C(=O)OCCC1(c2ccccc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 4/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ICMT O60725 4/20 0.39
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ELANE P08246 1/20 0.35
PRCP P42785 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL28909719 0.89 POLB (0.41) GAATSHRPOLBAPEX1HTT
SCHEMBL241655 0.86 GAA (0.41) GAATSHRPOLBAPEX1HTT
SCHEMBL243069 0.79 GAA (0.41) GAATSHRICMTLMNACYP2C19
SCHEMBL1357847 0.78 GAA (0.40) GAATSHRPOLBAPEX1HTT
SCHEMBL27706840 0.72 THRB (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1357092 0.71 THRB (0.46) TSHRPOLBAPEX1HTTTDP1
Benzene SCHEMBL28145673 0.70 THRB (0.65) GAATSHRPOLBAPEX1HTT
SCHEMBL245659 0.70 THRB (0.41) TSHRPOLBAPEX1HTTTDP1
Toluene SCHEMBL28087905 0.70 THRB (0.52) GAATSHRPOLBAPEX1HTT
SCHEMBL1357048 0.69 GAA (0.39) GAATSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed
US-20110281040-A1 LIQUID CRYSTAL DISPLAY ELEMENT, POSITIVE TYPE RADIATION SENSITIVE COMPOSITION, INTERLAYER INSULATING FILM FOR LIQUID CRYSTAL DISPLAY ELEMENT, AND FORMATION METHOD THEREOF JSR CORPORATION (JP) 2011-11-17 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 (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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 GAA 4504/4885TSHR 966/4885POLB 3178/4885

“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.