SCHEMBL2394541

SCHEMBL2394541

[CH2]c1cc(OC)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA9 Q16790 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41

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
SCHEMBL686849 0.83 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
Formaldehyde SCHEMBL28179692 0.81 CYP1A2 (0.57) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL11859921 0.76 ACHE (0.48) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL1046000 0.76 ALDH1A1 (0.48) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL23297418 0.76 CYP1A2 (0.42) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL4846739 0.76 TAAR1 (0.44) CYP1A2CYP1A1CYP1B1ALDH1A1CA9
SCHEMBL18040901 0.76 CYP1A2 (0.47) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL27581475 0.76 ALOX15 (0.47) ACHECA9CYP3A4MAPTCA1
SCHEMBL34336 0.75 ALDH1A1 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1CA9
SCHEMBL684136 0.74 ACHE (0.52) CYP1A2CYP1A1CYP1B1ACHEALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO claimed
EP-0117961-B1 HETEROCYCLIC DERIVATIVES SUBSTITUTED BY AN AMINO RADICAL, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Albert ROLLAND S.A. Société dite (FR) 1991-04-03 EP claimed
US-4647557-A Novel heterocyclic derivatives bearing an amino radical, processes for their production and the pharmaceutical compositions containing them MOINET GERARD (FR) 1987-03-03 US claimed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO disclosed
EP-2043630-B1 6, 9-DISUBSTITUTED PURINE DERIVATIVES FOR COSMETIC USE INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2016-09-07 EP disclosed
US-20130072505-A1 6,9-Disubstituted Purine Derivatives and Their Use for Treating Skin SZUCOVA LUCIE (CZ) 2013-03-21 US disclosed
US-20110224238-A1 6, 9-Disubstituted Purine Derivatives and Their Use for Treating Skin SZUCOVA LUCIE 2011-09-15 US disclosed
US-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin SZUCOVA LUCIE 2010-09-16 US disclosed
EP-2043630-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN Institute of Experimental Botany, Academy of Sciences of the Czech Republic (CZ) 2009-04-08 EP disclosed
WO-2008008770-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-17 WO disclosed
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-10 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-4826861-A MEDICAL BACTERICIDES OR FUNGICIDES ALBERT ROLAND, S.A. (FR) 1989-05-02 US disclosed
EP-0245417-A1 NEW PROCESS FOR OBTAINING ALPHA-AMINO NITRILES AND THEIR APPLICATIONS TO ORGANIC SYNTHESIS. ROLLAND SA A (FR) 1987-11-19 EP disclosed
WO-1987002980-A1 NEW PROCESS FOR OBTAINING alpha-AMINO NITRILES AND THEIR APPLICATIONS TO ORGANIC SYNTHESIS ALBERT ROLLAND S.A. (FR) 1987-05-21 WO disclosed
US-4647557-A Novel heterocyclic derivatives bearing an amino radical, processes for their production and the pharmaceutical compositions containing them MOINET GERARD (FR) 1987-03-03 US disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (4 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-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin UNG, P2RY6, MPG CYP1A2 2278/4885CYP1A1 2410/4885CYP1B1 1153/4885
US-20110224238-A1 6, 9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG CYP1A2 2278/4885CYP1A1 2410/4885CYP1B1 1153/4885
US-20130072505-A1 6,9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG CYP1A2 2278/4885CYP1A1 2410/4885CYP1B1 1153/4885
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin UNG, P2RY6, MPG CYP1A2 2278/4885CYP1A1 2410/4885CYP1B1 1153/4885

“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.