Sugi Predict

Sugi Predict / Compounds / SCHEMBL1360180

SCHEMBL1360180

SCHEMBL1360180

c1ccc(P(c2ccccc2)[Pd](P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ TSHR P16473 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CTSD P07339 1/20 0.35
▸ PTGS2 P35354 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ IDO1 P14902 3/20 0.32
▸ DPP4 P27487 2/20 0.32

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
SCHEMBL2939094 0.76 TDP1 (0.53) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL379314 0.75 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TSHR
Ethane SCHEMBL10983356 0.73 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL518737 0.67 TDP1 (0.60) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL5028587 0.67 TDP1 (1.00) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL2085135 0.67 TDP1 (1.00) TDP1CYP3A4ESR1ESR2TSHR
Benzene SCHEMBL6890099 0.67 TDP1 (1.00) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL101 0.67 TDP1 (1.00) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL25384985 0.65 TDP1 (0.92) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL22445084 0.65 TDP1 (0.92) TDP1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997434-B Red light iridium complex and preparation method and application thereof 海南师范大学 2021-03-02 — — CN disclosed
WO-2020166680-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE 大鵬薬品工業株式会社 2020-08-20 — — WO disclosed
EP-2282986-B1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2017-04-19 — — EP disclosed
US-8890126-B2 Compound for optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2014-11-18 — — US disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 — — US disclosed
US-20130105771-A1 COMPOUND FOR OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2013-05-02 — — US disclosed
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 — — US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 — — US disclosed
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 — — US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 — — EP disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 — — CN disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 — — WO disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 — — US disclosed
US-5317019-A Antiinflammatory agents SMITHKLINE BEECHAM CORP. (US) 1994-05-31 — — US disclosed
EP-0586663-A1 CARBAPENEM DERIVATIVES AS ANTIBIOTICS AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1994-03-16 — — EP disclosed
WO-1993019070-A1 CARBAPENEM DERIVATIVES AS ANTIBIOTICS AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1993-09-30 — — WO disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 — — EP disclosed
EP-0282492-A1 ANTIMICROBIAL N-ACYL-2-AZETIDINONES THE UPJOHN COMPANY (US) 1988-09-21 — — EP disclosed
WO-1987004429-A1 ANTIMICROBIAL N-ACYL-2-AZETIDINONES THE UPJOHN COMPANY (US) 1987-07-30 — — 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 (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-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 TDP1 4240/4885CYP3A4 1106/4885ESR1 2/4885
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides CBR3, HRH3, HRH4 TDP1 2635/4885CYP3A4 193/4885ESR1 3142/4885

“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.