SCHEMBL17099700

SCHEMBL17099700

COc1c(OC)c(Br)c2c(cc(C(=O)O)n2C)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.39
TPMT P51580 1/20 0.37
PTPN1 P18031 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR35 Q9HC97 2/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
ESR1 P03372 1/20 0.34
GLA P06280 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 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
SCHEMBL17099695 0.86 L3MBTL1 (0.42) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17118264 0.76 L3MBTL1 (0.39) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17118255 0.74 L3MBTL1 (0.37) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL26580392 0.73 KDM4E (0.61) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL644451 0.71 KMT2A (0.55) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL23809354 0.70 ALDH1A1 (0.57) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL27938424 0.69 KDM4E (1.00) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2905589 0.69 ALDH1A1 (0.60) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL26581211 0.68 HPGD (0.51) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL19009885 0.66 L3MBTL1 (0.36) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174825-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2017-06-22 US claimed
US-11370878-B2 Systems and methods for production of artificial eumelanin THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2022-06-28 US disclosed
US-20200407490-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-12-31 US disclosed
US-10774175-B2 Systems and methods for production of artificial eumelanin THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2020-09-15 US disclosed
US-20200031988-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-01-30 US disclosed
US-20170174825-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2017-06-22 US disclosed
WO-2015143020-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2015-09-24 WO 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 (5 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-20170174825-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN TYR, COMT, VARS1 HSD17B10 2925/4885ALDH1A1 3755/4885HPGD 1318/4885
US-20200031988-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN TYR, COMT, VARS1 HSD17B10 2925/4885ALDH1A1 3755/4885HPGD 1318/4885
US-10774175-B2 Systems and methods for production of artificial eumelanin TYR, COMT, VARS1 HSD17B10 2925/4885ALDH1A1 3755/4885HPGD 1318/4885
US-11370878-B2 Systems and methods for production of artificial eumelanin TYR, COMT, VARS1 HSD17B10 2925/4885ALDH1A1 3755/4885HPGD 1318/4885
US-20200407490-A1 SYSTEMS AND METHODS FOR PRODUCTION OF ARTIFICIAL EUMELANIN TYR, COMT, VARS1 HSD17B10 2925/4885ALDH1A1 3755/4885HPGD 1318/4885

“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.