SCHEMBL1304876

SCHEMBL1304876

CC(C)(C)P(c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1)C(C)(C)C.Cl[Pd]Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL1743625 1.00 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL289857 0.90 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL28001639 0.88 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL31568007 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL31467528 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL19093066 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL18796532 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL14696690 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL3645144 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
Bromide SCHEMBL28700347 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125395-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2026-05-07 US claimed
CN-116199558-B Large conjugated molecular material DHRP containing five-ring and seven-ring systems and preparation and application thereof 中国科学院化学研究所 2025-05-23 CN claimed
CN-119978004-A Water-stable 2-pyridine inner salt boron reagent, preparation method thereof and application thereof in coupling reaction 苏州大学 2025-05-13 CN claimed
CN-113999249-B Methods for preparing tricyclic PI3K inhibitor compounds and methods of treating cancer using the same 基因泰克公司 2025-03-25 CN claimed
CN-119591541-A Synthesis method of propidium bromide 西安市儿童医院 2025-03-11 CN claimed
CN-119462485-A Novel synthetic method of 4-aryl pyridine derivative 淮阴师范学院 2025-02-18 CN claimed
CN-118026957-A Three-component coupling method for aromatic trifluoroalkyl compound, conjugated olefin and nucleophilic reagent 国科大杭州高等研究院 2024-05-14 CN claimed
CN-117820209-A Preparation method of 4- [3- (cyclopropylmethoxy) -4- (difluoromethoxy) phenethyl ] pyridin-2-ol 中国医学科学院药物研究所 2024-04-05 CN claimed
CN-117567455-A Novel oxazolidinone compound and synthetic method and application thereof 华创合成制药股份有限公司 2024-02-20 CN claimed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US claimed
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 WO claimed
EP-2142496-B1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RES & ENG CO (US) 2013-04-17 EP claimed
EP-2144867-B1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RES & ENG CO (US) 2013-01-16 EP claimed
EP-2176216-B1 METHODS FOR SYNTHESIZING 9-SUBSTITUTED MINOCYCLINE PARATEK PHARM INNC (US) 2012-04-25 EP claimed
US-20110230680-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-09-22 US claimed
US-8017806-B2 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-09-13 US claimed
US-20090287022-A1 Lubricating compositions containing ashless catalytic antioxidant additives PATIL ABHIMANYU O 2009-11-19 US claimed
US-20080248984-A1 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2008-10-09 US claimed
US-20080245336-A1 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2008-10-09 US claimed
US-20070265178-A1 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2007-11-15 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 (7 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-20260125395-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3C2B, PIK3C2A, PIK3CA CYP3A4 738/4885TDP1 1937/4885ALDH1A1 3642/4885
US-20080245336-A1 Lubricating compositions containing ashless catalytic antioxidant additives GPX1, GPX4, SOD1 CYP3A4 2208/4885TDP1 391/4885ALDH1A1 51/4885
US-20080248984-A1 Lubricating compositions containing ashless catalytic antioxidant additives GPX1, SOD1, CAT CYP3A4 2453/4885TDP1 479/4885ALDH1A1 60/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB CYP3A4 662/4885TDP1 508/4885ALDH1A1 4087/4885
US-20070265178-A1 Lubricating compositions containing ashless catalytic antioxidant additives GPX4, SOD1, GPX1 CYP3A4 1131/4885TDP1 575/4885ALDH1A1 81/4885
US-20090287022-A1 Lubricating compositions containing ashless catalytic antioxidant additives GPX1, GPX4, SOD1 CYP3A4 2208/4885TDP1 391/4885ALDH1A1 51/4885
US-20110230680-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES GPX4, SOD1, GPX1 CYP3A4 947/4885TDP1 507/4885ALDH1A1 92/4885

“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.