SCHEMBL8404362

SCHEMBL8404362

Cc1cc2occ(C)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.42
KCNA3 P22001 5/20 0.41
KCNA2 P16389 1/20 0.41
KCNA1 Q09470 1/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1B1 P30837 1/20 0.41
ALDH1A3 P47895 1/20 0.41
PTPN1 P18031 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL19248240 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL19248241 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL5987722 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL10987358 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL19956965 0.81 PTPN1 (0.57) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL18021729 0.81 ALOX15 (0.49) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL2271953 0.81 SIRT1 (0.50) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL5986942 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL17321069 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTSHR
Linderazulene SCHEMBL29600930 0.77 KCNA3 (0.48) ALDH1A1KDM4EALOX15HSD17B10HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-0301692-A2 4,7-Benzofurandione derivatives MERCK FROSST CANADA INC. (CA) 1989-02-01 EP disclosed
EP-0295851-A1 4,7-diacyloxybenzofuran derivatives MERCK FROSST CANADA INC. (CA) 1988-12-21 EP 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885KDM4E 2096/4885ALOX15 2415/4885

“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.