SCHEMBL3645144

SCHEMBL3645144

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
KCNN4 O15554 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14696690 1.00 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
SCHEMBL289857 0.97 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1ALOX15ESR1
SCHEMBL19093066 0.94 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
SCHEMBL18796532 0.94 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
Hydrochloric Acid SCHEMBL31467528 0.94 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
Bromide SCHEMBL28700347 0.94 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
Hydrochloric Acid SCHEMBL31568007 0.94 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15ESR1
Hydrochloric Acid SCHEMBL1603386 0.92 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1ALOX15ESR1
Hydrochloric Acid SCHEMBL27810339 0.92 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1ALOX15ESR1
SCHEMBL28001639 0.90 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1ALOX15ESR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340507-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARM INNC (US) 2025-11-06 US claimed
CN-106865526-B β-graphite alkene and its synthetic method and application in energy storage field 四川大学 2019-01-25 CN claimed
US-10118912-B2 Process for the preparation of Ledipasvir OPTIMUS DRUGS PRIVATE LTD. (IN) 2018-11-06 US claimed
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 WO claimed
US-20250340507-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARM INNC (US) 2025-11-06 US disclosed
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 disclosed
CN-117164580-A Preparation method of KRAS G12C inhibitor and intermediate thereof 苏州泽璟生物制药股份有限公司 2023-12-05 CN disclosed
CN-107001281-A Substituted benzothiophene radical derivative is used as the GPR40 activators for treating type ii diabetes 詹森药业有限公司 2017-08-01 CN disclosed
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 WO disclosed
CN-102884063-B Can be used as the azabicyclo imdazole derivatives of the replacement of TRPM8 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-11-25 CN disclosed
CN-101896461-A Gamma secretase modulators AMGEN INC 2010-11-24 CN disclosed
EP-2176216-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS Paratek Pharmaceuticals, Inc. (US) 2010-04-21 EP disclosed
CN-100528845-C Pyrazolyl arync BAYER CHEMICAL PRODUCT AG (DE) 2009-08-19 CN disclosed
WO-2009009042-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
CN-1517339-A Pyrazolyl arync 拜尔化学品股份公司 2004-08-04 CN 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-10118912-B2 Process for the preparation of Ledipasvir SAMHD1, POLI, PNP CYP3A4 43/4885TDP1 727/4885ALDH1A1 1979/4885
US-20250340507-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS TET3, TET1, DHFR CYP3A4 1280/4885TDP1 1297/4885ALDH1A1 4075/4885

“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.