SCHEMBL154685

SCHEMBL154685

COc1cc(C)[c]c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 3/20 0.48
CYP1A1 P04798 5/20 0.43
CYP1B1 Q16678 5/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ACHE P22303 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4B1 P13584 2/20 0.39
CYP2B6 P20813 2/20 0.39

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
SCHEMBL491166 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL11359739 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL697263 0.78 ABL1 (0.57) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL18795416 0.77 ERN1 (0.43) ALDH1A1CYP3A4CYP1A1CYP1B1CYP2A6
1,3,5-Trimethoxybenzene SCHEMBL28493 0.75 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL699056 0.73 CYP3A4 (0.64) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL19724 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP1A1CYP1B1CA1
SCHEMBL1636165 0.73 NQO1 (0.48) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL1637762 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8408115 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230016405-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN THE UNIVERSITY OF TOKYO (JP) 2023-01-19 US claimed
EP-4116286-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN The University of Tokyo (JP) 2023-01-11 EP claimed
CN-115175889-A Process for producing fluorine-containing olefin 国立大学法人东京大学 2022-10-11 CN claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
WO-2021067374-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-04-08 WO claimed
US-20210094935-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2021-04-01 US claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO claimed
JP-2002514252-A 2002-05-14 JP claimed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US claimed
EP-0973762-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS , PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2000-01-26 EP claimed
US-5821024-A POLYESTER BINDER OF A DICARBOXYLIC ACID AND A POLYOL BLEND OF ETHERIFIED DIPHENOLS EASTMAN KODAK COMPANY (US) 1998-10-13 US claimed
WO-1998040374-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS, PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1998-09-17 WO claimed
US-4692529-A Method for synthesizing a magenta coupler by selectively etherifying 4-hydroxy-5-pyrazolone KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-09-08 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 (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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 2737/4885CYP3A4 2431/4885CYP1A1 1341/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A ALDH1A1 511/4885CYP3A4 351/4885CYP1A1 384/4885
US-20230016405-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN CYP2F1, CYP4F2, POF1B ALDH1A1 845/4885CYP3A4 119/4885CYP1A1 34/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 ALDH1A1 631/4885CYP3A4 255/4885CYP1A1 254/4885
US-20210094935-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR3, FGFR1, FGFR2 ALDH1A1 802/4885CYP3A4 936/4885CYP1A1 630/4885

“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.