SCHEMBL22773385

SCHEMBL22773385

CC/C(=C/c1ccc(OCCCl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.57
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ MAOB P27338 2/20 0.45
▸ PPARA Q07869 1/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ PTGS2 P35354 3/20 0.39

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
SCHEMBL22773386 1.00 PTGS1 (0.57) PTGS1ESR1ESR2MAOBPPARA
SCHEMBL19659874 0.88 ESR1 (0.49) PTGS1ESR1ESR2CYP19A1NPC1
SCHEMBL10349143 0.87 ESR1 (0.47) PTGS1ESR1ESR2CYP19A1NPC1
SCHEMBL6663202 0.87 ESR1 (0.47) PTGS1ESR1ESR2CYP19A1NPC1
SCHEMBL19643988 0.87 CYP2D6 (0.49) PTGS1ESR1ESR2MAOBCYP19A1
SCHEMBL19659671 0.87 ESR1 (0.47) PTGS1ESR1ESR2CYP19A1NPC1
SCHEMBL19643989 0.87 CYP2D6 (0.49) PTGS1ESR1ESR2MAOBCYP19A1
SCHEMBL19644220 0.87 CYP2D6 (0.46) PTGS1ESR1ESR2NPC1ALDH1A1
SCHEMBL22773225 0.85 CYP2D6 (0.54) PTGS1ESR1ESR2NPC1ALDH1A1
SCHEMBL19643665 0.85 CYP2D6 (0.54) PTGS1ESR1ESR2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246904-A1 FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE UNIV TEMPLE (US) 2024-07-25 — — US disclosed
US-11873267-B2 Functionalized N,N-dialkylamino phenyl ethers and their method of use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-01-16 — — US disclosed
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-17 — — 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 (3 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-11873267-B2 Functionalized N,N-dialkylamino phenyl ethers and their method of use GAA, GBA1, GBA2 PTGS1 4360/4885ESR1 3412/4885ESR2 2929/4885
US-20240246904-A1 FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 PTGS1 4360/4885ESR1 3412/4885ESR2 2929/4885
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 PTGS1 4521/4885ESR1 3705/4885ESR2 3237/4885

“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.

Send feedback