SCHEMBL5956359

SCHEMBL5956359

CC(=O)OCC1OC1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.71
▸ CYP3A4 P08684 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP2C19 P33261 5/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC18A3 Q16572 2/20 0.42
▸ THRB P10828 1/20 0.40
▸ EPHX1 P07099 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
SCHEMBL6860722 0.86 TSHR (0.54) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL6860725 0.86 TSHR (0.54) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL3350751 0.86 TSHR (0.54) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL3350757 0.86 TSHR (0.54) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL6534627 0.84 TSHR (0.53) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL27924060 0.84 TSHR (0.53) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL12762931 0.84 TSHR (1.00) TSHRCYP2D6PTPN1LMNAHSD17B10
SCHEMBL29010567 0.83 TSHR (0.52) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL29010564 0.83 TSHR (0.52) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL15299115 0.81 TSHR (0.76) TSHRCYP3A4ALDH1A1CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 — — CN claimed
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 — — CN disclosed
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-15 — — US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 — — US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 — — US disclosed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 — — WO disclosed
CN-1817871-A Process for the ruthenium-catalyzed epoxidation of olefins with the aid of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-08-16 — — CN disclosed
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 — — 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-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols SQLE, OXER1, OXA1L TSHR 4730/4885CYP3A4 211/4885ALDH1A1 255/4885
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide PPOX, HAO2, GPX4 TSHR 3765/4885CYP3A4 101/4885ALDH1A1 966/4885
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols SQLE, OXER1, OXA1L TSHR 4730/4885CYP3A4 211/4885ALDH1A1 255/4885

“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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