SCHEMBL4372186

SCHEMBL4372186

OC(c1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
TSHR P16473 3/20 0.43
LMNA P02545 5/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA2C P18825 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL7434679 1.00 AOC3 (0.47) AOC3TSHRLMNACES2CES1
SCHEMBL23172374 1.00 AOC3 (0.47) AOC3TSHRLMNACES2CES1
Acetic Acid SCHEMBL7640545 0.89 HPGD (0.46) AOC3LMNACES2CES1MAPK1
Alcohol SCHEMBL10526338 0.89 LMNA (0.48) AOC3TSHRLMNASLC6A4ADRA2C
SCHEMBL30387499 0.82 AOC3 (0.45) AOC3TSHRLMNACES2CES1
SCHEMBL11150798 0.82 AOC3 (0.45) AOC3TSHRLMNACES2CES1
SCHEMBL23149900 0.81 SRD5A2 (0.50) TSHR
SCHEMBL10525043 0.80 CYP2D6 (0.41) AOC3LMNASLC6A4ADRA1ACYP3A4
SCHEMBL76211 0.77 TSHR (0.58) AOC3TSHRLMNAMAPK1CYP2D6
SCHEMBL7120983 0.77 ESR1 (0.62) TSHRLMNACHRM2ADRA1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101433641-B Oral Chinese medicinal composition as well as preparing, taking and quality inspecting methods and use thereof CHENGDU ZHONGHUI PHARMACEUTICAL CO LTD 2012-06-27 CN claimed
CN-101850070-B Detection method for Chinese medicament Tangcao tablets BAISUIHANG PHARMACEUTICAL CO., LTD., SHANGHAI (CN) 2012-02-01 CN claimed
CN-101850070-A Quality standard and detection method for Chinese medicament Tangcao tablets SHANGHAI HUNDREDS ACE HERBAL PHARMACEUTICAL CO LTD 2010-10-06 CN claimed
CN-101433641-A Oral Chinese medicinal composition as well as preparing, taking and quality inspecting methods and use thereof CHENGDU ZHONGHUI PHARMACEUTICA (CN) 2009-05-20 CN claimed
CN-101313936-A Medicament composition for dispelling wind and relieving pain, preparation method and quality control method thereof BEIJING ASIA EAST BIO PHARM CO (CN) 2008-12-03 CN claimed
CN-1569156-A Medicament for treating cardiovascular and cerebrovascular disease and its preparation method and quality control method BEIJING QIYUAN YIDE DRUG INST (CN) 2005-01-26 CN claimed
EP-0482979-A1 Process for the preparation of aldehydes from secondary alpha-trihalogenated alcohols RHONE-POULENC CHIMIE (FR) 1992-04-29 EP claimed
EP-0258172-B1 USE OF 2,2,2-TRICHLORO-1-PHENYLETHANOL ALKYL ETHERS AS PERFUMES Dragoco Gerberding & Co. GmbH (DE) 1989-02-08 EP claimed
US-4788177-A COSMETICS, PERFUMES, ENHANCERS DRAGOCO GERBERDING & CO. GMBH 1988-11-29 US claimed
CN-117143070-A Preparation method of piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
CN-117143069-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid and piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
US-20230263718-A1 COMPOSITION FOR TREATING HAIR OR FIBERS, COMPRISING ALKYL KETENE COMPOUND LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2023-08-24 US disclosed
US-20230242843-A1 GREEN SOLVENT, LAUNDRY COMPOSITION COMPRISING SAME, AND WASHING MACHINE LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2023-08-03 US disclosed
CN-116239483-A Green synthesis method of phenylglycine 江西兄弟医药有限公司 2023-06-09 CN disclosed
EP-0011279-B1 PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-05-05 EP disclosed
US-4268442-A REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-05-19 US disclosed
EP-0011279-A1 Process for the preparation of aromatically substituted acetic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-05-28 EP disclosed
US-4180654-A 4\"-Deoxy-4\"-acylamido derivatives of oleandomycin, erythromycin and erythromycin carbonate PFIZER INC. (US) 1979-12-25 US disclosed
US-4127728-A FRIEDEL-CRAFTS CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed
US-3966824-A BIODEGRADABLE INSECTICIDES UNIVERSITY OF ILLINOIS FOUNDATION (US) 1976-06-29 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-20230263718-A1 COMPOSITION FOR TREATING HAIR OR FIBERS, COMPRISING ALKYL KETENE COMPOUND KRT18, KAT5, KCNK5 AOC3 2744/4885TSHR 4364/4885LMNA 2295/4885

“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.