SCHEMBL645891

SCHEMBL645891

CCCCc1cc(C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.50
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
HTR1A P08908 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.41
GABRP O00591 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
SCHEMBL29779666 1.00 NOS2 (0.50) NOS2UHRF1CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL28783127 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
Iodide SCHEMBL29869193 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
Phosphine SCHEMBL27841866 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL1030077 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL921653 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL29473921 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL28096091 0.93 NOS2 (0.45) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL2547957 0.92 KCNH2 (0.48) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL28878273 0.92 KCNH2 (0.48) NOS2UHRF1CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153189-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES Merck Sharp & Dohme LLC (US) 2023-03-29 EP claimed
WO-2021236859-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2021-11-25 WO claimed
CN-104411688-B Synthesis of acridinium compounds from N-alkylation of 9,10-dihydroacridine 西门子医疗保健诊断公司 2019-01-08 CN claimed
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN claimed
CN-104411688-A Synthesis of acridinium compounds from N-alkylation of 9, 10-dihydroacridine SIEMENS HEALTHCARE DIAGNOSTICS 2015-03-11 CN claimed
CN-1705639-A Synthesis of intermediates useful in the synthesis of tubulin inhibitors WYETH CORP (US) 2005-12-07 CN claimed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
CN-116092839-A Super capacitor with wide temperature range 快帽系统公司 2023-05-09 CN disclosed
CN-115947767-A Method for synthesizing 1,3-dithio glycoside by one-pot relay glycosylation 江西师范大学 2023-04-11 CN disclosed
EP-4153189-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES Merck Sharp & Dohme LLC (US) 2023-03-29 EP disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
CN-110526898-A 3- indazole quinoline ketone compounds, preparation method and its in application pharmaceutically BEIJING INNOCARE PHARMA TECH CO LTD 2019-12-03 CN disclosed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
WO-1996005216-A1 ESTRA-1,3,5(10)-TRIENE DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JENAPHARM GMBH (DE) 1996-02-22 WO disclosed
CN-1095382-A The new A of cyanines family ring steroide SMITHKLINE BEECHAM CORP (US) 1994-11-23 CN disclosed
CN-1095071-A The acyl group that 17 α and 17 β replace-3-carboxyl fragrance A ring steroide 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORP (US) 1994-11-16 CN disclosed
CN-1087902-A Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1994-06-15 CN disclosed
WO-1994003164-A1 INHIBITION AND TREATMENT OF INFECTION BY ENVELOPED VIRUS WITH CALIX(N) ARENE COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-17 WO disclosed
CN-1048546-A Substituted imidazo-fused 6 unit heterocycle as angiotensin II antagonism medicine MERCK & CO INC (US) 1991-01-16 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 NOS2 2587/4885UHRF1 3037/4885CCR1 2558/4885
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS NISCH, COASY, KLK7 NOS2 3449/4885UHRF1 2298/4885CCR1 3534/4885

“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.