SCHEMBL4084847

SCHEMBL4084847

OCC=Cc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.56
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A19 Q695T7 1/20 0.49
BACE1 P56817 1/20 0.49
PKM P14618 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
CYP2D6 P10635 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAPT P10636 2/20 0.43
RHOA P61586 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
HSD11B1 P28845 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4084843 1.00 HSD17B3 (0.56) HSD17B3ALDH1A1CYP3A4RECQLSLC6A19
SCHEMBL9272281 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLRHOA
SCHEMBL9281030 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLRHOA
SCHEMBL933470 0.85 HSD17B3 (0.53) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL12175516 0.82 HSD17B3 (0.53) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL709614 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL8900441 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL699462 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL256054 0.80 SLC6A19 (0.53) HSD17B3ALDH1A1SLC6A19BACE1PKM
SCHEMBL7595301 0.80 HSD17B3 (0.52) HSD17B3ALDH1A1SLC6A19BACE1PKM

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102337307-A Preparation method of optically active phenyl glycidol and derivatives thereof CHENGDU INST BIOLOGY CAS 2012-02-01 CN claimed
CN-113429249-B Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2023-06-16 CN disclosed
CN-113429249-A Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2021-09-24 CN disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 US disclosed
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 US disclosed
US-9314467-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-04-19 US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 EP disclosed
US-4556409-A CONTROLLING SOYBEAN GROWTH EMERY INDUSTRIES INC. (US) 1985-12-03 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
US-4418202-A HERBICIDES, PESTICIDES EMERY INDUSTRIES, INC. (US) 1983-11-29 US disclosed
US-4380656-A PESTICIDES, HERBICIDES EMERY INDUSTRIES, INC. (US) 1983-04-19 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed
US-3969384-A Esters of cyclopropane alkanoic acids ZOECON CORPORATION (US) 1976-07-13 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 (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-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 HSD17B3 357/4885ALDH1A1 336/4885CYP3A4 4377/4885

“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.