SCHEMBL8673201

SCHEMBL8673201

c1ccc2cc(OCCOCCOc3ccc4ccccc4c3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPK1 P28482 1/20 1.00
NPC1 O15118 3/20 0.82
RAB9A P51151 3/20 0.82
MAPT P10636 2/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
AGXT P21549 2/20 0.61
ALOX5 P09917 1/20 0.57
NCF1 P14598 6/20 0.56
PPARG P37231 1/20 0.54
PTPN7 P35236 1/20 0.53
HTT P42858 1/20 0.53
DRD3 P35462 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50

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
SCHEMBL15657734 1.00 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8674825 1.00 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL16902851 0.93 TDP1 (0.87) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8675366 0.92 TDP1 (0.85) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL20110895 0.91 KDM4E (0.82) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL9492894 0.91 KDM4E (0.82) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL13196822 0.91 KDM4E (0.82) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL16021964 0.91 KDM4E (0.82) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL20110893 0.91 TDP1 (0.82) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL16021974 0.91 KDM4E (0.82) TDP1KDM4EMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-13 US disclosed
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-13 US disclosed
US-5827796-A Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1998-10-27 US disclosed
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
US-4855278-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-08-08 US disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed
US-4115216-A QUARTERNARY AMMONIUM COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-19 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-11529354-B2 Methods and compositions for the treatment of tuberculosis IFNG, FNTB, TYMS TDP1 3603/4885KDM4E 4321/4885MAPK1 4411/4885
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS IFNG, FNTB, TYMS TDP1 3603/4885KDM4E 4321/4885MAPK1 4411/4885

“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.