SCHEMBL49618

SCHEMBL49618

Cc1ccccc1P(c1ccccc1)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ACHE P22303 3/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
DRD1 P21728 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HSD17B10 Q99714 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP2A6 P11509 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
SCHEMBL29535212 1.00 CYP3A4 (0.52) CYP3A4TDP1ACHETSHRESR1
SCHEMBL16424436 0.98 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1
Hydrochloric Acid SCHEMBL10793333 0.95 CYP3A4 (0.48) CYP3A4TDP1ACHETSHRESR1
SCHEMBL49858 0.95 CYP3A4 (0.52) CYP3A4TDP1ACHETSHRESR1
SCHEMBL31532278 0.93 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1
Iodide SCHEMBL30903480 0.93 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1
SCHEMBL31531976 0.93 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1
SCHEMBL3717033 0.93 CYP3A4 (0.57) CYP3A4TDP1ACHETSHRESR1
Hydrochloric Acid SCHEMBL11571801 0.93 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1
Hydrochloric Acid SCHEMBL31198728 0.93 CYP3A4 (0.50) CYP3A4TDP1ACHETSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507263-B1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS EASTMAN CHEM CO (US) 2024-06-19 EP claimed
CN-108003092-B Synthetic method of 2, 3-dichloropyridine 重庆中邦科技有限公司 2021-04-02 CN claimed
US-9975833-B2 Efficient catalyst for the formation of polyaryl hydrocarbons suitable as precursors for polydentate organophosphorus catalyst ligands EASTMAN CHEMICAL COMPANY (US) 2018-05-22 US claimed
US-20180057435-A1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS EASTMAN CHEMICAL COMPANY (US) 2018-03-01 US claimed
EP-2980092-B1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2017-10-04 EP claimed
US-20160052947-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO., LTD. (JP) 2016-02-25 US claimed
EP-2980092-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME Kuraray Co., Ltd. (JP) 2016-02-03 EP claimed
US-5365007-A Nickel compound with phosphine and phosphated alumina PHILLIPS PETROLEUM COMPANY (US) 1994-11-15 US claimed
US-5286696-A Using an nickel, phosphine complex PHILLIPS PETROLEUM COMPANY (US) 1994-02-15 US claimed
US-5260499-A Nickel compound, phosphine compound, organoaluminum compound, perfluorosulfonate polymer PHILLIPS PETROLEUM COMPANY (US) 1993-11-09 US claimed
US-4482640-A NICKEL COMPOUND, PHOSPHINE, CARBOXYLIC ACID AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1984-11-13 US claimed
EP-0043382-B1 PREPARATION OF ISOBUTYRIC ACID AND ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-16 EP claimed
EP-0020473-B1 PHOSPHINE ACTIVATED PHOTOSENSITIVE COMPOSITIONS AND PHOTOPOLYMER PRINTING PLATES MADE THEREFROM NAPP SYSTEMS (USA) INC. (US) 1983-06-22 EP claimed
EP-0043382-A1 Preparation of isobutyric acid and esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-13 EP claimed
US-4292437-A USING A PALLADIUM-ORTHO-SUBSTITUTED TRIARYL PHOSPHINE COMPLEX AS CATALYST FOR THE CARBONYLATION OF PROPYLENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US claimed
US-4283481-A COMPRISING AN UNSATURATED MONOMER, POLYMER, INITIATOR AND ACTIVATOR NAPP SYSTEMS (USA) INC. (US) 1981-08-11 US claimed
EP-0020473-A1 PHOSPHINE ACTIVATED PHOTOSENSITIVE COMPOSITIONS AND PHOTOPOLYMER PRINTING PLATES MADE THEREFROM. NAPP SYSTEMS INC (US) 1981-01-07 EP claimed
US-4233391-A PRINTING PLATES NAPP SYSTEMS (USA) INC. (US) 1980-11-11 US claimed
EP-0020473-A4 PHOSPHINE ACTIVATED PHOTOSENSITIVE COMPOSITIONS AND PHOTOPOLYMER PRINTING PLATES MADE THEREFROM. NAPP SYSTEMS INC (US) 1980-10-16 EP claimed
WO-1980000623-A1 PHOSPHINE ACTIVATED PHOTOSENSITIVE COMPOSITIONS AND PHOTOPOLYMER PRINTING PLATES MADE THEREFROM NAPP SYSTEMS INC (US) 1980-04-03 WO 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 (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-20180057435-A1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS DDT, HDHD5, HPD CYP3A4 90/4885TDP1 344/4885ACHE 70/4885

“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.