SCHEMBL244926

SCHEMBL244926

C=C(C)C(=O)OCCC1CC(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.37
THRB P10828 1/20 0.36
SLC18A3 Q16572 2/20 0.35
NPC1 O15118 1/20 0.35
ELANE P08246 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL245013 0.86 ALDH1A1 (0.53) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL245847 0.77 ALDH1A1 (0.49) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL243068 0.76 ALDH1A1 (0.43) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL27903259 0.76 ALDH1A1 (0.47) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL245068 0.75 ALDH1A1 (0.42) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL11070973 0.75 ALDH1A1 (0.68) ALDH1A1TSHR
SCHEMBL11702539 0.74 TBXAS1 (0.44) ALDH1A1CA1CA2POLBAPEX1
Styrene SCHEMBL28253105 0.74 ALDH1A1 (0.48) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL241646 0.72 ALDH1A1 (0.44) ALDH1A1CA1CA2POLBAPEX1
SCHEMBL20505422 0.72 ALDH1A1 (0.68) ALDH1A1CA1CA2POLBAPEX1

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 3 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

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 ALDH1A1 1150/4885CA1 348/4885CA2 1624/4885

“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.