SCHEMBL21401367

SCHEMBL21401367

OC(CCl)CSc1ccc(Sc2ccc(SCC(O)CCl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NR1H2 P55055 1/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA4 P22748 6/20 0.36
CA7 P43166 6/20 0.36
CA9 Q16790 6/20 0.36
BACE1 P56817 7/20 0.35
MAPT P10636 1/20 0.34
MAOA P21397 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
SCHEMBL21401396 0.94 ALDH1A1 (0.39) ALDH1A1GAACA1CA2CA4
SCHEMBL10187450 0.86 BACE1 (0.47) ALDH1A1GAANR1H2CA1CA2
SCHEMBL1496583 0.86 TEAD1 (0.42) ALDH1A1GAANPC1RAB9ANPSR1
SCHEMBL21023760 0.84 ALDH1A1 (0.38) ALDH1A1GAACA1CA2CA4
SCHEMBL1496561 0.83 MAOA (0.48) ALDH1A1CA1CA2CA4CA7
SCHEMBL16197373 0.81 HIF1A (0.39) NPC1RAB9ANR1H2CA1CA2
SCHEMBL25292852 0.80 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ACA1
SCHEMBL1496511 0.80 CA1 (0.50) ALDH1A1NPC1CA1CA2CA4
SCHEMBL24098294 0.79 MAOA (0.48) ALDH1A1CA1CA2CA4CA7
SCHEMBL1496687 0.77 BACE1 (0.47) ALDH1A1NR1H2CA1CA2CA4

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-11279673-B2 Aromatic polythiol compound for optical material SKC CO., LTD. (KR) 2022-03-22 US disclosed
EP-3486272-B1 AROMATIC POLYTHIOL COMPOUND FOR OPTICAL MATERIAL SKC CO LTD (KR) 2021-04-28 EP disclosed
US-20190292144-A1 AROMATIC POLYTHIOL COMPOUND FOR OPTICAL MATERIAL SK PUCORE CO., LTD. (KR) 2019-09-26 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 (2 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-11279673-B2 Aromatic polythiol compound for optical material SMAD3, TCOF1, FGFR3 ALDH1A1 2369/4885GAA 2237/4885NPC1 4749/4885
US-20190292144-A1 AROMATIC POLYTHIOL COMPOUND FOR OPTICAL MATERIAL SMAD3, TCOF1, FGFR3 ALDH1A1 2369/4885GAA 2237/4885NPC1 4749/4885

“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.