SCHEMBL185558

SCHEMBL185558

CC#CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
KCNH2 Q12809 2/20 0.43
CALM1 P0DP23 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DHFR P00374 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
IDO1 P14902 2/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
Hydrochloric Acid SCHEMBL7366013 0.97 KCNH2 (0.42) TP53KCNH2CALM1SLC6A2TAAR1
SCHEMBL19896596 0.86 PYCR1 (0.39) KCNH2FFAR1FFAR4TSHRALDH1A1
SCHEMBL28568072 0.83 KCNH2 (0.40) TP53KCNH2CALM1SLC6A2TAAR1
SCHEMBL3888886 0.83 CALM1 (0.50) TP53KCNH2CALM1TAAR1FFAR1
SCHEMBL9856631 0.78 CALM1 (0.45) TP53KCNH2CALM1TAAR1FFAR1
SCHEMBL97491 0.78
SCHEMBL6319821 0.77 KCNH2 (0.50) TP53KCNH2CALM1FFAR1FFAR4
SCHEMBL17578919 0.77 KCNH2 (0.44) TP53KCNH2TAAR1FFAR1CYP1A2
SCHEMBL1453921 0.77 KCNH2 (0.42) TP53KCNH2CALM1TAAR1FFAR1
SCHEMBL11209706 0.77 TSHR (0.48) FFAR1CYP1A2TSHRALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN claimed
CN-118852028-A Nitrone pyrimidine ring compound and preparation method thereof 南京工业大学 2024-10-29 CN claimed
CN-118206417-A Cobalt catalytic dehalogenation deuteration method 中国科学院大连化学物理研究所 2024-06-18 CN claimed
EP-1717223-B2 Method for the purification of isocyanates BASF SE (DE) 2023-01-04 EP claimed
EP-1912953-B1 PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM LEK PHARMACEUTICALS (SI) 2016-08-17 EP claimed
EP-1717223-B1 Method for the purification of isocyanates BASF SE (DE) 2016-07-20 EP claimed
US-7348396-B2 Modified polyethylenephosphinic acids and their salts CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-03-25 US claimed
US-20070027297-A1 Modified polyethylenephosphinic acids and their salts CLARIANT FINANCE (BVI) LIMITED 2007-02-01 US claimed
US-7045529-B2 Imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US claimed
US-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-18 US claimed
US-6583315-B2 Reacting yellow elemental phosphorus with an alkyl halide under alkaline conditions; acidifying, esterifying, isolating and hydrolyzing to obtain purified alkylphosphonous acid; reacting with acetylene CLARIANT GMBH (DE) 2003-06-24 US claimed
US-20030073865-A1 PROCESS FOR PREPARING ETHANEBIS(ALKYLPHOSPHINIC) ACIDS CLARIANT GMBH 2003-04-17 US claimed
EP-1244666-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES Bristol-Myers Squibb Pharma Company (US) 2002-10-02 EP claimed
US-20020082447-A1 Process for preparing ethylenediphosphonic acids CLARIANT GMBH 2002-06-27 US claimed
WO-2001044248-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-21 WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0407341-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1995-12-06 EP claimed
EP-0587823-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL, Karin, Elisabeth (CH) 1994-03-23 EP claimed
WO-1993013049-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL KARIN ELISABETH (CH) 1993-07-08 WO claimed
EP-0191025-B1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS Whitby Research Incorporated (US) 1990-03-07 EP 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 (3 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-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives CRH, GPR119, CRHR1 TP53 4226/4885KCNH2 4450/4885CALM1 2132/4885
US-20030073865-A1 PROCESS FOR PREPARING ETHANEBIS(ALKYLPHOSPHINIC) ACIDS HAO2, ARSA, APEH TP53 3357/4885KCNH2 205/4885CALM1 3433/4885
US-20020082447-A1 Process for preparing ethylenediphosphonic acids ENPP1, ALK, INPPL1 TP53 3538/4885KCNH2 626/4885CALM1 885/4885

“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.