SCHEMBL635367

SCHEMBL635367

NCC(C1CCCCC1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 1.00
TP53 P04637 2/20 0.56
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GMNN O75496 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.45
SHBG P04278 1/20 0.42
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL1088601 0.97 EPHX1 (0.94) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL31262900 0.88 EPHX1 (0.79) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL550246 0.84
Hydrochloric Acid SCHEMBL9011719 0.81 EPHX1 (0.68) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL2067551 0.78 EPHX1 (0.64) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL4379254 0.77 EPHX1 (0.62) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL9717438 0.77 EPHX1 (0.62) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL4241767 0.76 EPHX1 (0.59) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL9821330 0.75 EPHX1 (0.60) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL8070691 0.74 EPHX1 (0.59) EPHX1TP53LMNAKDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247338-A N-amino-alpha-amino acid compound and synthesis method thereof 四川大学 2023-12-19 CN claimed
CN-114380712-B Synthesis method of alpha-amino amide compound 南京工业大学 2023-05-09 CN claimed
CN-115286657-A Continuous production method of hydroxymethyl phosphonate 湖北理工学院 2022-11-04 CN claimed
CN-114478218-A Preparation method of 1, 3-diketone methylated compound 南京工业大学 2022-05-13 CN claimed
CN-114380712-A Synthetic method of alpha-amino amide compound 南京工业大学 2022-04-22 CN claimed
CN-108675937-B Synthetic method of alpha-amino acid 南京工业大学 2021-02-23 CN claimed
CN-110128233-B Preparation method of deuterated alcohol compound 南京工业大学 2021-02-02 CN claimed
EP-3077376-B1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-16 EP claimed
US-9598397-B2 Process for making reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-21 US claimed
US-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 US claimed
US-7102046-B2 By reaction of haloaromatics or arylsulfonates with olefins in presence of palladium catalyst, bulky nitrogen base and salt BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
WO-2005068428-A1 METHOD FOR STABILIZING 4-HALOGENPYRIDINES WITH SECONDARY AND/OR TERTIARY AMINES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-07-28 WO claimed
US-20050165239-A1 Process for stabilizing 4-halopyridines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-28 US claimed
US-6858756-B2 Arylation of olefins BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US claimed
US-20030114707-A1 Arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-19 US claimed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 US claimed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP claimed
EP-0827953-A2 Method for producing N-acyl carbamate Nippon Paint Co., Ltd. (JP) 1998-03-11 EP claimed
US-4853481-A FRIEDEL-CRAFTS CATALYSIS IN PRESENCE OF TERTIARY OR DIAMINES; BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US claimed
US-4083861-A Unsaturated silicon organic compounds containing keto groups DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1978-04-11 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 (4 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-20030114707-A1 Arylation of olefins AHR, YAP1, ARNT EPHX1 1754/4885TP53 3582/4885LMNA 4448/4885
US-20050165239-A1 Process for stabilizing 4-halopyridines KCNH1, NISCH, KCNH2 EPHX1 596/4885TP53 4462/4885LMNA 3209/4885
US-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 EPHX1 2371/4885TP53 4403/4885LMNA 4789/4885
US-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, TYMS EPHX1 663/4885TP53 3880/4885LMNA 3547/4885

“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.