SCHEMBL3245155

SCHEMBL3245155

C=CC(C)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
LMNA P02545 3/20 0.56
ADRA2C P18825 2/20 0.56
ADRA2A P08913 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CHRM2 P08172 1/20 0.52
ADRA1A P35348 1/20 0.52
RGS12 O14924 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL23221180 1.00 KDM4E (0.56) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL8287058 1.00 KDM4E (0.56) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL9201789 1.00 KDM4E (0.56) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL25393051 0.83 CHRNA7 (0.40) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL29144374 0.83 CHRNA7 (0.40) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL8649655 0.81 SLC6A2 (0.44) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL6840730 0.79 ADRA2C (0.46) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL5054065 0.79 ADRA2C (0.46) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL15450086 0.77 LMNA (0.50) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL4007711 0.77 KDM4E (0.56) KDM4ELMNAADRA2CADRA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181848-A Bacillus acidocaldarius capable of generating fruity flavor of cream and application thereof 天津科技大学 2022-03-15 CN claimed
CN-114181848-B Bacillus acidophilus capable of generating cream fruity flavor and application thereof 天津科技大学 2024-07-16 CN disclosed
CN-114181848-A Bacillus acidocaldarius capable of generating fruity flavor of cream and application thereof 天津科技大学 2022-03-15 CN disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-8513452-B1 Brønsted acid-catalyzed asymmetric allylation and propargylation of aldehydes UNIVERSITY OF SOUTH FLORIDA (US) 2013-08-20 US disclosed
US-8513452-B1 Brønsted acid-catalyzed asymmetric allylation and propargylation of aldehydes UNIVERSITY OF SOUTH FLORIDA (US) 2013-08-20 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
EP-0992474-B1 Process for transferring alpha,beta-unsaturated alkyl groups to electrophiles CHEMETALL GMBH (DE) 2003-04-09 EP disclosed
US-6291713-B1 TRANSFERRING .ALPHA.,.BETA.-UNSATURATED ALKYL GROUPS TO ELECTROPHILE BY MEANS OF MASKED ZINC ALKYL IN PRESENCE OF APROTIC SOLVENT METALLGESELLSCHAFT AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-5490952-A REDUCING COMPLEX OF COPPER HALIDE OR CYANIDE AND ALKALI HALIDE WITH ALKALI SALT OF AROMATIC ANION; FOR SYNTHESIZING HIGHLY FUNCTIONAL ORGANIC COMPOUNDS UNIVERSITY OF NEBRASKA (US) 1996-02-13 US disclosed
WO-1992019623-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1992-11-12 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 KDM4E 3939/4885LMNA 4303/4885ADRA2C 669/4885

“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.