SCHEMBL246722

SCHEMBL246722

C=C(C)C(=O)OCC1OCC1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.32

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
SCHEMBL28121284 0.89 ALDH1A1 (0.54) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL28031574 0.83 ALDH1A1 (0.51) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL28001402 0.83 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL28315268 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL14688132 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL5098181 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL5098171 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL512480 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL15617 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL2048901 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303743-A1 POLYMERIC COATINGS MICROVENTION, INC. 2023-09-28 US disclosed
US-20160179004-A1 PHOTOSENSITIVE POLYSILOXANE COMPOSITION, PROTECTING FILM, AND ELEMENT HAVING PROTECTIVE FILM CHI MEI CORPORATION (TW) 2016-06-23 US disclosed
CN-104932199-A RADIATION-SENSITIVE COMPOSITION, CURED FILM, DISPLAY DEVICE AND COLORANTS DISPERSION JSR CORP 2015-09-23 CN disclosed
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 1150/4885TSHR 966/4885THRB 2257/4885

“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.