SCHEMBL818323

SCHEMBL818323

CCCCCCNCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 2/20 0.68
S1PR2 O95136 5/20 0.54
S1PR4 O95977 5/20 0.54
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 5/20 0.54
S1PR5 Q9H228 1/20 0.54
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NAAA Q02083 1/20 0.48
EPHX1 P07099 5/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 2/20 0.45

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
SCHEMBL4166614 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL21413 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL1464855 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL474300 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL118940 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL16390105 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7636057 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL10823104 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7637730 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL2238630 1.00 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115832607-B Preparation method of battery diaphragm, battery diaphragm and secondary battery 宁德时代新能源科技股份有限公司 2024-10-18 CN claimed
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 CN claimed
CN-114316252-B Telechelic type rapid thermal/photo-curing ablation-resistant resin and synthesis method thereof 湖北三江航天江河化工科技有限公司 2023-05-02 CN claimed
CN-115832607-A Preparation method of battery diaphragm, battery diaphragm and secondary battery 宁德时代新能源科技股份有限公司 2023-03-21 CN claimed
CN-114316252-A Telechelic rapid thermal/photo-curing ablation-resistant resin and synthetic method thereof 湖北三江航天江河化工科技有限公司 2022-04-12 CN claimed
CN-108508712-B Resist stripping liquid composition 东友精细化工有限公司 2022-03-22 CN claimed
US-11261282-B2 PEO-PPO-PEO triblock bipolymers, with amphoteric endings, as demulsifying agents for heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2022-03-01 US claimed
CN-113620906-A Method for preparing ethylenediamine and ethanolamine derivatives by photocatalysis of biomass polyols 中国科学院大连化学物理研究所 2021-11-09 CN claimed
CN-110794012-B Microelectrode, probe containing microelectrode and application of microelectrode in determination of oxygen content in brain 中国科学院化学研究所 2021-01-26 CN claimed
US-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-11-17 US claimed
EP-1917006-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT Patent & Licence Trading Ltd. (GB) 2008-05-07 EP claimed
WO-2006136454-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD. (GB) 2006-12-28 WO claimed
US-7105628-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-09-12 US claimed
US-20060165814-A1 Amines, combination of amines and vanadium and amine vanadium salts for the treatment or prevention of dyslipidemia GENMEDICA THERAPEUTICS SL (ES) 2006-07-27 US claimed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-4925582-A USING ALKYL ALKANOLAMINE OXID, INCORPORATED (US) 1990-05-15 US claimed
EP-0122151-B1 PRODUCTION OF PRIMARY OR SECONDARY ALCOHOL DERIVATIVES OF PHOSPHOLIPIDS BY THE ENZYMATIC TECHNIQUE MEITO SANGYO KABUSHIKI KAISHA (JP) 1989-02-15 EP claimed
US-4749503-A N-HEXYL ETHANOLAMINE, LUBRICANTS AND WATER MIXED CHEMICAL EXCHANGE INDUSTRIES, INC. (US) 1988-06-07 US claimed
US-4529528-A Reacting an alkoxylated amine and a phosphite MOBIL OIL CORPORATION (US) 1985-07-16 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 (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-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof PIK3CA, MTOR, PIK3CD ALDH1A1 3902/4885TSHR 4358/4885S1PR2 1707/4885
US-20060165814-A1 Amines, combination of amines and vanadium and amine vanadium salts for the treatment or prevention of dyslipidemia COMT, PCSK9, OAT ALDH1A1 2028/4885TSHR 1330/4885S1PR2 3291/4885

“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.