SCHEMBL411733

SCHEMBL411733

CCCN(CCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CNR2 P34972 2/20 0.46
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
RORC P51449 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HTR7 P34969 1/20 0.40

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
Water SCHEMBL31498994 0.97 TSHR (0.50) TSHRCNR2TP53NPSR1L3MBTL1
Hydrochloric Acid SCHEMBL2142184 0.97 TSHR (0.50) TSHRCNR2TP53NPSR1L3MBTL1
Nitrogen SCHEMBL4599415 0.95 TSHR (0.48) TSHRCNR2TP53NPSR1L3MBTL1
Diethylaniline SCHEMBL18092109 0.93 TSHR (0.57) TSHRCNR2TP53L3MBTL1TAAR1
SCHEMBL1868440 0.91 CNR2 (0.47) TSHRCNR2TP53NPSR1MEN1
SCHEMBL19771743 0.91 TSHR (0.45) TSHRCNR2TP53NPSR1L3MBTL1
SCHEMBL2917098 0.90 TSHR (0.59) TSHRCNR2TP53L3MBTL1TAAR1
SCHEMBL11425085 0.89 CNR2 (0.44) TSHRCNR2TP53NPSR1L3MBTL1
SCHEMBL11405777 0.89 TSHR (0.44) TSHRCNR2TP53NPSR1L3MBTL1
SCHEMBL10442992 0.89 CNR2 (0.44) TSHRCNR2TP53NPSR1L3MBTL1

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 1413 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) 2025-11-13 US claimed
CN-113024359-B Process for preparing alkoxymethyl alkynyl ether compounds having terminal triple bonds 信越化学工业株式会社 2024-06-11 CN claimed
CN-117229167-A Preparation method of pesticide intermediate 湖北梦鑫生物医药科技有限责任公司 2023-12-15 CN claimed
WO-2023221851-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE 湖南省湘中制药有限公司 2023-11-23 WO claimed
CN-117024456-A Condensed cyclic compound, material containing the same, and organic electroluminescent device 中国科学院理化技术研究所 2023-11-10 CN claimed
EP-3842406-B1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHINETSU CHEMICAL CO (JP) 2023-10-11 EP claimed
CN-116768697-A Method for preparing dipropylmalonic acid by using chloropropane as alkylating agent and application of dipropylmalonic acid 湖南大学 2023-09-19 CN claimed
CN-116621732-A 2-cyano-2-valproate and preparation method and application thereof 湖南大学 2023-08-22 CN claimed
CN-116046864-A All-solid-state blood gas pH detection electrode, preparation method thereof and application thereof in blood gas analysis and detection 广州钰芯传感科技有限公司 2023-05-02 CN claimed
CN-114763319-B Method for co-producing valproamide and sodium valproate 湖南大学 2023-03-31 CN claimed
US-5463030-A Complexes of diethylenetriaminepentaacetic acid derivatives with paramagnetic lanthanide series metals; magnetic resonance imaging contrast agents RESEARCH FOUNDATION OF THE STATE OF NEW YORK (US) 1995-10-31 US claimed
US-5420356-A Process for producing cyclobutanones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-05-30 US claimed
EP-0257771-B1 Herbicidal method using diflufenican MAY & BAKER LTD (GB) 1994-03-23 EP claimed
EP-0257845-B1 METHOD OF PRODUCING VARIEGATED PLANTS Taguchi, Masayasu (JP) 1991-10-16 EP claimed
US-4857657-A Preparation of hexenedioic acid diesters RHONE-POULENC CHIMIE (FR) 1989-08-15 US claimed
US-4585895-A Processes for the preparation of mixed squaraine compositions XEROX CORPORATION (US) 1986-04-29 US claimed
US-4525592-A Process for squaraine compositions XEROX CORPORATION (US) 1985-06-25 US claimed
US-4524219-A REACTING AN ALKYL AQUARATE WITH AN N,N-DIALKYLANILINE IN THE PRESENCE OF AN ALKANOL XEROX CORPORATION (US) 1985-06-18 US claimed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
US-4069242-A SYNERGISTIC CATALYST SYSTEM CONTAINING AMMONIUM OR AMINE NITROGEN AND IRON OR CHROMIUM COMPOUND THE DOW CHEMICAL COMPANY (US) 1978-01-17 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 (1 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-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE ADH1A, CA3, HDAC2 TSHR 2183/4885CNR2 278/4885TP53 2662/4885

“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.