SCHEMBL246383

SCHEMBL246383

C=C(C)C(=O)OCC1OCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 4/20 0.40
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC18A3 Q16572 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.35
KDM1A O60341 1/20 0.35
CYP2C9 P11712 1/20 0.34
MGLL Q99685 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
SCHEMBL245068 0.87 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1SLC18A3
SCHEMBL6534627 0.80 TSHR (0.53) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
SCHEMBL245006 0.80 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
SCHEMBL11070973 0.78 ALDH1A1 (0.68) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
SCHEMBL7896556 0.76 ALDH1A1 (0.60) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
Biphenyl SCHEMBL28529224 0.76 ALDH1A1 (0.73) ALDH1A1MGLL
Toluene SCHEMBL8175017 0.75 ALDH1A1 (0.71) ALDH1A1MGLL
Phenol SCHEMBL727251 0.75 ALDH1A1 (0.71) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
Benzene SCHEMBL28134170 0.75 ALDH1A1 (0.89) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6
Benzene SCHEMBL7777595 0.75 ALDH1A1 (0.89) ALDH1A1TSHRCYP2C19CYP3A4CYP2D6

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
WO-2023007972-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION 日産化学株式会社 2023-02-02 WO 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 966/4885CYP2C19 848/4885

“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.