SCHEMBL19659874

SCHEMBL19659874

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.49
▸ ESR2 Q92731 4/20 0.49
▸ PTGS1 P23219 3/20 0.43
▸ CYP19A1 P11511 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL19644220 0.88 CYP2D6 (0.46) ESR1ESR2PTGS1NR1I2RAB9A
SCHEMBL22773386 0.88 PTGS1 (0.57) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL22773385 0.88 PTGS1 (0.57) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL19659671 0.86 ESR1 (0.47) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL19643988 0.86 CYP2D6 (0.49) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL10349143 0.86 ESR1 (0.47) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL19643989 0.86 CYP2D6 (0.49) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL6663202 0.86 ESR1 (0.47) ESR1ESR2PTGS1CYP19A1PTGS2
SCHEMBL22773276 0.84 CYP2D6 (0.54) ESR1ESR2PTGS1PTGS2NR1I2
SCHEMBL19660027 0.84 CYP2D6 (0.54) ESR1ESR2PTGS1PTGS2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2017205451-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-11-30 — — 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 (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-11873267-B2 Functionalized N,N-dialkylamino phenyl ethers and their method of use GAA, GBA1, GBA2 ESR1 3412/4885ESR2 2929/4885PTGS1 4360/4885
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 ESR1 3705/4885ESR2 3237/4885PTGS1 4521/4885

“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