SCHEMBL301134

SCHEMBL301134

CC(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
TAAR1 Q96RJ0 4/20 0.33
LMNA P02545 3/20 0.33
SLC6A2 P23975 2/20 0.33
TSHR P16473 2/20 0.33
ALOX12 P18054 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ACHE P22303 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
CYP2D6 P10635 1/20 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
Iodide SCHEMBL1478204 0.97 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TAAR1
Bromide SCHEMBL29193727 0.97 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL4326950 0.97 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TAAR1
Bromide SCHEMBL28443974 0.97 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TAAR1
Bromide SCHEMBL1582391 0.95 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TAAR1
Hydrochloric Acid SCHEMBL1582634 0.95 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL17414853 0.88 TDP1 (0.36) TDP1CYP3A4ESR1ESR2
SCHEMBL7542235 0.88 TDP1 (0.36) TDP1CYP3A4ESR1ESR2
Hydrochloric Acid SCHEMBL19723221 0.86 CYP3A4 (0.35) TDP1CYP3A4ESR1ESR2
Hydrochloric Acid SCHEMBL7933432 0.86 CYP3A4 (0.35) TDP1CYP3A4ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209107-B2 Process for preparing high puritiy allopregnanolone and intermediates thereof CRYSTAL PHARMA, S.A.U. (ES) 2025-01-28 US claimed
WO-2025019172-A1 ANTIMICROBIAL EXTRACTANT FORMED FROM COPPER-CONTAINING SOURCE CORNING INCORPORATED (US) 2025-01-23 WO claimed
CN-119192499-A Ethylene-butadiene polymer, process for producing the same, and vulcanized rubber 中国石油化工股份有限公司 2024-12-27 CN claimed
WO-2024262317-A1 METHOD FOR PRODUCING HYDROPHILIC QUANTUM DOT 信越化学工業株式会社 2024-12-26 WO claimed
CN-117964507-A Synthesis method of polysubstituted N, N dibenzyl aniline derivative 广西医科大学 2024-05-03 CN claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-115650880-A Recycling method of MDI with over-shelf life, method for preparing carbodiimide modified isocyanate from MDI with over-shelf life and product 万华化学(宁波)有限公司 2023-01-31 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-107488113-B Method for synthesizing o-aminobiphenyl compound 上海泰禾国际贸易有限公司 2020-05-12 CN claimed
WO-2019016115-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYL KETONES BASF Agro B.V. (NL) 2019-01-24 WO claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0370563-B1 PREPARATION OF CONJUGATED DIENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-05-19 EP claimed
US-4943670-A Hydroisomerization SHELL OIL COMPANY (US) 1990-07-24 US claimed
EP-0370563-A1 Preparation of conjugated dienes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-30 EP claimed
EP-0028378-B1 IMPROVED HYDROFORMYLATION PROCESS USING STABLE RHODIUM CATALYST UNION CARBIDE CORPORATION (US) 1985-01-09 EP claimed
US-4283562-A COMPLEXED WITH CARBON MONOXIDE AND A PHENYL PHOSPHINE UNION CARBIDE CORPORATION (US) 1981-08-11 US claimed
EP-0028378-A1 Improved hydroformylation process using stable rhodium catalyst UNION CARBIDE CORPORATION (US) 1981-05-13 EP claimed
US-4201728-A RHODIUM METAL COMPLEX CATALYST CELANESE CORPORATION (US) 1980-05-06 US claimed
US-4169861-A STAVILIZED RHODIUM METAL BIDENTATE LIGAND AND MONODENTATE LIGAND CELANESE CORPORATION (US) 1979-10-02 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 (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-12209107-B2 Process for preparing high puritiy allopregnanolone and intermediates thereof CYP21A2, CYP17A1, CYP11B1 TDP1 4026/4885CYP3A4 62/4885ESR1 558/4885

“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.