SCHEMBL406428

SCHEMBL406428

CCOC(=O)c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
METTL3 Q86U44 1/20 0.55
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRB3 P13945 2/20 0.54
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
CDC25B P30305 1/20 0.53
LMNA P02545 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 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
Diethyl Phthalate SCHEMBL5306972 0.86 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BLMNA
Diethyl Phthalate SCHEMBL29404255 0.86 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BLMNA
Diethyl Phthalate SCHEMBL22296 0.86 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL2059610 0.85 ALDH1A1 (0.76) TSHRALDH1A1HSD17B10ADRB2ADRB1
SCHEMBL11418791 0.85 TSHR (0.63) TSHRALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL2601348 0.85 TSHR (0.63) TSHRALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL4625495 0.84 TSHR (0.61) TSHRALDH1A1HSD17B10CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL11172092 0.84 ALDH1A1 (0.73) TSHRALDH1A1HSD17B10ADRB2ADRB1
Diethyl Phthalate SCHEMBL7520316 0.84 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BLMNA
Diethyl Phthalate SCHEMBL30925693 0.84 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN claimed
CN-113980117-B Fenpyroximate antigen and preparation method and application thereof 西南大学 2024-07-12 CN claimed
CN-117820460-A Methoxypiperidine ethyl antigen and preparation method and application thereof 西南大学 2024-04-05 CN claimed
CN-117623865-A Production method of clarithromycin intermediate (2-chlorophenyl) diphenyl methanol 山东科新药业有限公司 2024-03-01 CN claimed
CN-114044753-B Small molecular compound with anti-tumor metastasis function and preparation method thereof 广州市朝利良生物科技有限公司 2022-08-09 CN claimed
CN-114560834-A Spirodiclofen hapten, antigen and antibody as well as preparation method and application thereof 西南大学 2022-05-31 CN claimed
CN-114044753-A Small molecular compound with anti-tumor metastasis function and preparation method thereof 广州市朝利良生物科技有限公司 2022-02-15 CN claimed
CN-113980117-A Fenpyroximate antigen and preparation method and application thereof 西南大学 2022-01-28 CN claimed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN claimed
CN-109694423-A Catalytic component for vinyl polymerization and preparation method thereof and catalyst for vinyl polymerization 中国石油化工股份有限公司 2019-04-30 CN claimed
CN-103420946-A Separation method for epichlorohydrin CHINA PETROLEUM & CHEMICAL 2013-12-04 CN claimed
CN-103420949-A Separation method for epichlorohydrin CHINA PETROLEUM & CHEMICAL 2013-12-04 CN claimed
CN-102268120-B High-cis conjugated diene-styrene random copolymer, and preparation method thereof UNIV BEIJING CHEMICAL 2013-05-29 CN claimed
EP-2383275-A1 METHOD FOR SYNTHESIZING O-DIPHENYLPHOSPHINO BENZOIC ACID Sinomax Chemical Technology Co., Ltd (CN) 2011-11-02 EP claimed
US-20110077426-A1 METHOD FOR SYNTHESIS OF O-DIPHENYLPHOSPHINOBENZOIC ACID SINOMAX CHEMICAL TECHNOLOGY CO. LTD. (CN) 2011-03-31 US claimed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 US claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
US-4404341-A TITANIUM SOLID, ORGANOALUMINUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-09-13 US claimed
US-4085276-A CATALYST COMPOSED OF AN ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF A MAGNESIUM COMPOUND AND A TITANIUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) 1978-04-18 US claimed
US-4080378-A REACTING A CARBOXYLIC ACID ESTER WITH A TRICHLOROMETHYL SUBSTITUTED AROMATIC COMPOUND IN THE PRESENCE OF A MOLYBDENUM CATALYST DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1978-03-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 TSHR 3087/4885ALDH1A1 245/4885HSD17B10 1181/4885
US-20110077426-A1 METHOD FOR SYNTHESIS OF O-DIPHENYLPHOSPHINOBENZOIC ACID PLCB1, DCPS, POF1B TSHR 4780/4885ALDH1A1 2332/4885HSD17B10 1952/4885

“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.