SCHEMBL49480

SCHEMBL49480

Cc1ccc(P(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
CYP3A4 P08684 2/20 0.67
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
ACHE P22303 2/20 0.53
ALOX12 P18054 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 3/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL12889884 1.00 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE
SCHEMBL7661200 1.00 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE
SCHEMBL49680 1.00 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE
SCHEMBL16424434 0.97 TDP1 (0.63) TDP1CYP3A4ESR1ESR2ACHE
P-Xylene SCHEMBL10884475 0.97 TDP1 (0.71) TDP1CYP3A4ESR1ESR2ACHE
P-Xylene SCHEMBL11109973 0.94 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE
P-Xylene SCHEMBL11108935 0.94 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE
Toluene SCHEMBL6561280 0.92 TDP1 (0.71) TDP1CYP3A4ESR1ESR2ACHE
SCHEMBL9115203 0.91 ESR1 (0.56) TDP1CYP3A4ESR1ESR2ACHE
Toluene SCHEMBL25365395 0.89 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689847-B Preparation method of aryl propionic acid compound 浙江新和成股份有限公司 2022-05-17 CN 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
CN-111689847-B Preparation method of aryl propionic acid compound 浙江新和成股份有限公司 2022-05-17 CN disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-108003092-B Synthetic method of 2, 3-dichloropyridine 重庆中邦科技有限公司 2021-04-02 CN disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
WO-2019109143-A1 HEAVY-METAL-FREE METAL CHALCOGENIDE NANOPLATELETS CURTIN UNIVERSITY (AU) 2019-06-13 WO disclosed
EP-2970074-B1 HYDROFORMYLATION PROVESS USING A HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT DOW TECHNOLOGY INVESTMENTS LLC (US) 2019-04-24 EP disclosed
US-20180244865-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-30 US disclosed
EP-3341432-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO Deutschland GmbH (DE) 2018-07-04 EP disclosed
US-10010879-B2 Phosphine triply cross-linked by organic polymer, transition metal complex using said phosphine as a ligand, and catalyst TOSOH ORGANIC CHEMICAL CO., LTD (JP) 2018-07-03 US disclosed
WO-1999001461-A1 PRODUCTION OF ALKALI METAL DIARYLPHOSPHIDE AND CYCLOALKYLDIARYLPHOSPHINES ALBEMARLE CORPORATION (US) 1999-01-14 WO disclosed
US-5777169-A Production of high purity alkali metal diarylphosphide and cycloalkyldiarylphosphines ALBEMARLE CORPORATION (US) 1998-07-07 US disclosed
US-5414160-A Use of dimerization catalyst formed in situ from organonickel compound with no nickel-halogen bond, triarylphosphine and/or monoalkyldiarylphosphine, organoaluminum compound, hydrogen; hydroformylation and hydrogenation of dimer to alcohols MITSUBISHI KASEI CORPORATION (JP) 1995-05-09 US disclosed
US-4892954-A REACTION OF EPOXY COMPOUNDS AND CARBON DIOXIDE, BASIC CATALYST HOECHST AG (DE) 1990-01-09 US disclosed
US-4661623-A CATALYST SELECTIVITY ASHLAND OIL, INC. (US) 1987-04-28 US disclosed
US-4599456-A STORAGE STABILITY PHILLIPS PETROLEUM COMPANY (US) 1986-07-08 US disclosed
US-4257973-A USING ORGANOPHOSPHORUS-PALLADIUM HALIDE COORDINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
US-4007123-A PHOSPHATE, POLYALKYLENE GLYCOL AND AN ORGANO-SELENIUM OR TELLURIUM MCDONNELL DOUGLAS CORPORATION (US) 1977-02-08 US disclosed
US-4001129-A PHOSPHATE ESTER, POLYETHER, DICARBOXYLIC ACID ESTER, SELENIDES, TELLURIDES, HYDRAULIC FLUIDS MCDONNELL DOUGLAS CORPORATION (US) 1977-01-04 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 (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-10010879-B2 Phosphine triply cross-linked by organic polymer, transition metal complex using said phosphine as a ligand, and catalyst PHOSPHO1, PTDSS1, PLTP TDP1 3091/4885CYP3A4 1269/4885ESR1 1839/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 TDP1 2483/4885CYP3A4 477/4885ESR1 325/4885

“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.