SCHEMBL5306209

SCHEMBL5306209

C=CCN(CC=C)c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
TSHR P16473 1/20 0.53
OPRM1 P35372 4/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ESR1 P03372 1/20 0.41
PTPN1 P18031 2/20 0.40
CHKA P35790 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL10694157 0.86 CHKA (0.41) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL8613693 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHROPRM1OPRD1
SCHEMBL8224671 0.79 OPRM1 (0.37) ALDH1A1CYP3A4TSHROPRM1OPRD1
SCHEMBL18127463 0.79 OPRM1 (0.37) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL10931233 0.78 NFE2L2 (0.39) CYP3A4OPRK1ACHEPTPN1CHKA
SCHEMBL18780627 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHROPRM1OPRD1
SCHEMBL11303068 0.78 OPRK1 (0.45) ALDH1A1CYP3A4TSHROPRM1OPRD1
SCHEMBL10978579 0.77 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL7902533 0.77 TDP1 (0.44) ALDH1A1CYP3A4ACHELMNAPTPN1
SCHEMBL8108929 0.77 PTPN1 (0.40) ALDH1A1OPRM1OPRK1PTPN1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US claimed
EP-1506159-A1 METHOD FOR PRODUCING 2-(4-N, N-DIALKYLAMINO-2-HYDROXYBENZOYL)BENZOATES BASF AKTIENGESELLSCHAFT (DE) 2005-02-16 EP claimed
WO-2003097578-A1 METHOD FOR PRODUCING 2-(4-N, N-DIALKYLAMINO-2-HYDROXYBENZOYL)BENZOATES BASF AKTIENGESELLSCHAFT (DE) 2003-11-27 WO claimed
EP-0027950-B1 FIBRE-REACTIVE CHROMIUM COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-02-15 EP claimed
US-4416815-A Fiber-reactive unsymmetrical 1:2 chromium complex azo dyes CIBA-GEIGY CORPORATION (US) 1983-11-22 US claimed
EP-0027950-A2 Fibre-reactive chromium complex dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1981-05-06 EP claimed
JP-5339220-A None JP disclosed
JP-3264575-A None JP disclosed
JP-4230249-A None JP disclosed
JP-4290880-A None JP disclosed
JP-3057688-A None JP disclosed
JP-5186407-A None JP disclosed
US-20250304545-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-10-02 US disclosed
JP-H03264575-A BENZOFURANOQUINONE-BASED COMPOUND RICOH CO LTD 1991-11-25 JP disclosed
JP-H0357688-A FLUORANE COMPOUND, PREPARATION THEREOF AND RECORDING MATERIAL CONTAINING SAID COMPOUND MITSUI TOATSU CHEM INC 1991-03-13 JP disclosed
US-4818246-A Process for improving the light-fastness of leather dyeings CIBA-GEIGY CORPORATION (US) 1989-04-04 US disclosed
EP-0176161-A1 Novel fluoran compounds and production and use thereof TAOKA CHEMICAL CO., LTD (JP) 1986-04-02 EP disclosed
EP-0121743-A2 Optical indicator chalcogen compounds and use MILES LABORATORIES, INC. (US) 1984-10-17 EP disclosed
US-4018763-A FROM AN AMINO PHENOL AND A M-PHENYLENEDIAMINE, NITROSATION, CYCLIZATION CIBA-GEIGY CORPORATION (US) 1977-04-19 US disclosed
US-3944423-A Light-sensitive diazotype material comprising a fluoroalkoxy-substituted diazonium compound KEUFFEL & ESSER COMPANY (US) 1976-03-16 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-20250304545-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES PWWP2B, WDR82, FOLR1 ALDH1A1 4071/4885CYP3A4 3119/4885TSHR 610/4885
US-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates ADH1C, ADH5, ADH1A ALDH1A1 7/4885CYP3A4 90/4885TSHR 3296/4885

“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.