SCHEMBL19018434

SCHEMBL19018434

COc1c(Cl)ccc(Cl)c1C(=O)C=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ TSHR P16473 1/20 0.57
▸ TAS1R3 Q7RTX0 7/20 0.48
▸ TAS1R1 Q7RTX1 7/20 0.48
▸ TAS1R2 Q8TE23 5/20 0.47
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ ABCB11 O95342 1/20 0.36

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
3,6 Dichloromethoxybenzoic Acid SCHEMBL3266728 0.80 ALDH1A1 (0.86) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL3266726 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL29433228 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL8261360 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
3,6 Dichloromethoxybenzoic Acid SCHEMBL18336 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
3,6 Dichloromethoxybenzoic Acid SCHEMBL29539000 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
3,6 Dichloromethoxybenzoic Acid SCHEMBL1932787 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL9812091 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
3,6 Dichloromethoxybenzoic Acid SCHEMBL678678 0.78 ALDH1A1 (0.89) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL10926110 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRTAS1R3

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-9988333-B2 Process for making 2,5-dihalogenated phenol BASF SE (DE) 2018-06-05 — — US disclosed
US-20170174603-A1 Process for Making 2,5-Dihalogenated Phenol BASF SE (DE) 2017-06-22 — — 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-20170174603-A1 Process for Making 2,5-Dihalogenated Phenol TYR, CA4, CA6 ALDH1A1 951/4885KDM4E 746/4885HSD17B10 1142/4885

“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.

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