SCHEMBL19746578

SCHEMBL19746578

COC(=O)C1(C)C=CC(c2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPT P10636 6/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL11453583 0.85 HTT (0.41) HTTMAPTCYP3A4TSHRMEN1
SCHEMBL8970777 0.83 MAPT (0.43) HTTMAPTCYP3A4TSHRMEN1
SCHEMBL4371618 0.82 SLC9A1 (0.36) CYP3A4ALDH1A1ATMPOLBSMN1; SMN2
SCHEMBL5984477 0.82 HTT (0.40) HTTMAPTCYP3A4TSHRMEN1
SCHEMBL18601440 0.79 MAOB (0.40) CYP3A4ALDH1A1ATMPOLBALOX15
SCHEMBL5320069 0.78 LMNA (0.37) HTTMAPTTSHRKMT2AALDH1A1
SCHEMBL4234394 0.75 POLB (0.37) MAPTCYP3A4TSHRMEN1KMT2A
SCHEMBL8501573 0.74 NR4A2 (0.37) TSHRALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL6903843 0.73 POLB (0.36) MAPTCYP3A4TSHRALDH1A1ATM
SCHEMBL9545947 0.73 POLB (0.36) MAPTTSHRMEN1KMT2AKDM4E

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-20190161429-A1 Aromatic Esters and Polyesters, Production Without Esterification Catalyst, and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-05-30 US disclosed
EP-3475255-A1 AROMATIC ESTERS AND POLYESTERS, PRODUCTION WITHOUT ESTERIFICATION CATALYST, AND USE ExxonMobil Chemical Patents Inc. (US) 2019-05-01 EP disclosed
WO-2017222692-A1 AROMATIC ESTERS AND POLYESTERS, PRODUCTION WITHOUT ESTERIFICATION CATALYST, AND USE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-28 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 (1 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-20190161429-A1 Aromatic Esters and Polyesters, Production Without Esterification Catalyst, and Use PAH, ALKBH3, ALK HTT 1816/4885MAPT 313/4885CYP3A4 21/4885

“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.