SCHEMBL13318482

SCHEMBL13318482

ClC1(Cl)OC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL93209 0.77 CHRM2 (0.40) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL29478286 0.74 HTR2A (0.39) TSHRCYP2C19MEN1KMT2AMAOA
SCHEMBL5955814 0.74 KDM1A (0.43) TSHRALDH1A1NPSR1L3MBTL1CYP2C19
SCHEMBL17660056 0.74 KDM1A (0.43) TSHRALDH1A1NPSR1L3MBTL1CYP2C19
SCHEMBL18298261 0.74 TSHR (0.39) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL3972334 0.74 KDM1A (0.43) TSHRALDH1A1NPSR1L3MBTL1CYP2C19
SCHEMBL7108506 0.70 CHRM2 (0.49) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL10515985 0.70 CHRNA7 (0.44) TSHRALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL3971547 0.70 CHRM2 (0.49) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL7107611 0.67 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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-7737286-B2 α-Hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered latone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2010-06-15 US disclosed
US-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2007-09-27 US disclosed
US-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2007-09-27 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-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds LDHA, HCAR1, HPD TSHR 1927/4885ALDH1A1 280/4885LMNA 79/4885

“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.