SCHEMBL1651818

SCHEMBL1651818

COc1cc(CSC(=Cc2ccccc2)c2ccccc2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL1651939 0.92 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1651929 0.76 NQO2 (0.50) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL1651931 0.74 NQO2 (0.47) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL19433096 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL19433094 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL1653896 0.70 MEN1 (0.58) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL9669886 0.69 IDO1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9669890 0.69 IDO1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1653550 0.68 PDE4A (0.47) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL9670098 0.68 IDO1 (0.46) MAPTSMN1; SMN2LMNANPC1HTT

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
US-10550095-B2 Cancerous cell growth inhibiting compounds WISYS TECHNOLOGY FOUNDATION, INC. (US) 2020-02-04 — — US disclosed
US-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds WISYS TECHNOLOGY FOUNDATION, INC. 2017-11-30 — — US disclosed
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 — — US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 — — 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 (3 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-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds TYR, MKI67, MC1R ALDH1A1 113/4885MEN1 263/4885KMT2A 1488/4885
US-10550095-B2 Cancerous cell growth inhibiting compounds TYR, MKI67, MC1R ALDH1A1 113/4885MEN1 263/4885KMT2A 1488/4885
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species ABCC1, H1-3, H1-2 ALDH1A1 990/4885MEN1 3549/4885KMT2A 1759/4885

“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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