SCHEMBL19659671

SCHEMBL19659671

CC/C(=C\c1ccc(OCCCl)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ CYP2D6 P10635 3/20 0.46
▸ PTGS1 P23219 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10349143 1.00 ESR1 (0.47) ESR1ESR2CYP2D6PTGS1MAPT
SCHEMBL6663202 1.00 ESR1 (0.47) ESR1ESR2CYP2D6PTGS1MAPT
SCHEMBL19643988 0.94 CYP2D6 (0.49) ESR1ESR2CYP2D6PTGS1CYP3A4
SCHEMBL19643989 0.94 CYP2D6 (0.49) ESR1ESR2CYP2D6PTGS1CYP3A4
SCHEMBL22773385 0.87 PTGS1 (0.57) ESR1ESR2PTGS1CYP19A1NPC1
SCHEMBL22773386 0.87 PTGS1 (0.57) ESR1ESR2PTGS1CYP19A1NPC1
SCHEMBL19659874 0.86 ESR1 (0.49) ESR1ESR2CYP2D6PTGS1KMT2A
SCHEMBL22773322 0.83 CYP2D6 (0.67) ESR1ESR2CYP2D6PTGS1MAPT
SCHEMBL8835237 0.83 CYP2D6 (0.67) ESR1ESR2CYP2D6PTGS1MAPT
SCHEMBL8835232 0.83 CYP2D6 (0.67) ESR1ESR2CYP2D6PTGS1MAPT

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 7 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-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
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 (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 ESR1 3412/4885ESR2 2929/4885CYP2D6 1611/4885
US-20240246904-A1 FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 ESR1 3412/4885ESR2 2929/4885CYP2D6 1611/4885
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 ESR1 3705/4885ESR2 3237/4885CYP2D6 2010/4885

“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.

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