SCHEMBL1006989

SCHEMBL1006989

CCCCc1ccc(CCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA1 P00915 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50

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
SCHEMBL1445861 0.93 ESR1 (0.59) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL6051278 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL8973387 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL1446549 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL11175382 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL14546512 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL8750456 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL27839969 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9502103 0.88 LTA4H (0.44) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL26755876 0.88 CA2 (0.44) CA2CA1ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199612-B Porous adsorbent and preparation method and application thereof 荆楚理工学院 2024-06-21 CN claimed
CN-118027395-B Coating material, preparation method and application thereof, and lithium battery diaphragm 安徽壹石通材料科学研究院有限公司 2025-04-29 CN disclosed
CN-118027395-A Coating material, preparation method and application thereof, and lithium battery diaphragm 安徽壹石通材料科学研究院有限公司 2024-05-14 CN disclosed
CN-107683170-A Compositions and systems for gas storage 联邦科学与工业研究组织 2018-02-09 CN disclosed
CN-107683305-A Microporous polymer compositions 联邦科学与工业研究组织 2018-02-09 CN disclosed
EP-2910547-B1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG UNIV OKAYAMA (JP) 2017-06-14 EP disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 US disclosed
CN-105001217-A [1,2,4]triazole[4,3-alpha]pyridine-3(2H)-ketone derivative preparation method UNIV ZHEJIANG TECHNOLOGY 2015-10-28 CN disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 US disclosed
EP-2910547-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG Okayama University (JP) 2015-08-26 EP disclosed
EP-1073655-A1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 2001-02-07 EP disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US disclosed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US disclosed
WO-1999055704-A1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 1999-11-04 WO disclosed
US-4570011-A PYROLYSIS OF AN ORTHO ALKYL HALOMETHYL AROMATIC HYDROCARBON IN AN INERT THE DOW CHEMICAL COMPANY (US) 1986-02-11 US disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
US-4424394-A Manufacture of arylacetic acids and their esters BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP 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-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG FURIN, ACE, SHARPIN CA2 1604/4885CA1 3619/4885ALDH1A1 1348/4885

“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.