SCHEMBL19746580

SCHEMBL19746580

COC(=O)C1(C)C=CC(c2ccccc2)=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.38
CYP3A4 P08684 6/20 0.36
TSHR P16473 6/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
IDO1 P14902 1/20 0.35
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGS1 P23219 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5182782 0.88 MEN1 (0.39) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL28768953 0.86 RARA (0.33) MAPTSMN1; SMN2
SCHEMBL4371622 0.86 RARA (0.33) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL27566410 0.85 MEN1 (0.37) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL28757628 0.84 TSHR (0.41) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL29053322 0.84 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL8970782 0.84 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL5984481 0.82 MEN1 (0.37) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL18601442 0.82 MAOB (0.36) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL27656088 0.82 MEN1 (0.40) MEN1KMT2AHTTCYP3A4TSHR

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 MEN1 3407/4885KMT2A 330/4885HTT 1816/4885

“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.