Sugi Predict

Sugi Predict / Compounds / SCHEMBL50087

SCHEMBL50087

SCHEMBL50087

Cc1cccc(P(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ACHE P22303 6/20 0.52
▸ TSHR P16473 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ACP3 P15309 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2A6 P11509 1/20 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
SCHEMBL50019 1.00 TDP1 (0.60) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL29535020 1.00 TDP1 (0.60) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL29415924 0.92 ACHE (0.61) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL49786 0.92 ACHE (0.61) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL18423870 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA
Bromide SCHEMBL8849644 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA
Hydrochloric Acid SCHEMBL4529394 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL5713327 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA
SCHEMBL8849287 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA
Hydrochloric Acid SCHEMBL29001481 0.90 ACHE (0.58) TDP1CYP3A4ACHETSHRLMNA

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 21 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-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
CN-109970789-B Preparation method of triarylphosphine compound 大连理工大学 2021-05-07 — — CN disclosed
WO-2020211316-A1 ASYMMETRICALLY SUBSTITUTED SOLUBLE PYRIDINE DERIVATIVES AND PREPARATION THEREOF, N-DOPED ELECTRON TRANSPORT LAYER AND USE THEREOF 华南理工大学 2020-10-22 — — WO disclosed
CN-109970789-A A kind of preparation method of triaryl phosphine compound 大连理工大学 2019-07-05 — — CN 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-9981978-B2 Preparation of saturated ketone morphinan compounds by catalytic isomerisation CAMBREX CHARLES CITY, INC. (US) 2018-05-29 — — US disclosed
CN-104144937-B Diphosphonium salt and method for producing same 广荣化学工业株式会社 2017-04-26 — — CN disclosed
WO-2017036721-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-09 — — WO disclosed
US-20160168159-A1 PREPARATION OF SATURATED KETONE MORPHINAN COMPOUNDS BY CATALYTIC ISOMERISATION CAMBREX CHARLES CITY, INC. 2016-06-16 — — US disclosed
US-8263794-B2 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2012-09-11 — — US disclosed
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 — — US disclosed
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 — — US disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 — — US disclosed
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 — — US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 — — 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

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

For each of this compound's patents that has machine-readable text (5 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-20160168159-A1 PREPARATION OF SATURATED KETONE MORPHINAN COMPOUNDS BY CATALYTIC ISOMERISATION ADH1C, ADH1A, ADH5 TDP1 2977/4885CYP3A4 30/4885ACHE 930/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B TDP1 2608/4885CYP3A4 1473/4885ACHE 1516/4885
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters ELOVL3, LIPA, FFAR2 TDP1 4723/4885CYP3A4 422/4885ACHE 3389/4885
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 TDP1 2981/4885CYP3A4 3968/4885ACHE 3068/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 TDP1 1880/4885CYP3A4 75/4885ACHE 351/4885

“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.