SCHEMBL1793433

SCHEMBL1793433

CCCCCNN(CCCCC)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX1 P07099 6/20 0.43
DNM1 Q05193 3/20 0.43
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
ADH4 P08319 1/20 0.39
THRB P10828 1/20 0.37
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL1793429 1.00 TSHR (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL28603348 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL10627520 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL11148458 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL1794187 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL1795018 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL15477622 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL1794183 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL1795020 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B
SCHEMBL1794716 0.97 EPHX1 (0.48) TSHRALDH1A1EPHX1DNM1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398842-A1 Hydrazide derivatives CIBA-GEIGY AG (CH) 1990-11-22 EP claimed
CN-116789932-A Recyclable polyurethane elastomer containing multiple hydrogen bonds and obtained through chain extension of aldehyde groups and preparation method of recyclable polyurethane elastomer 山东奥卓新材料有限公司 2023-09-22 CN disclosed
CN-113831681-B Low-release polyformaldehyde and preparation method thereof 重庆云天化天聚新材料有限公司 2023-08-11 CN disclosed
CN-111163638-A Pesticidal compositions and methods 美国陶氏益农公司 2020-05-15 CN disclosed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-6846933-B1 Antimycobacterial compounds and method for making the same THE BOARD OF TRUSTEES OF WELLESLEY COLLEGE (US) 2005-01-25 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2002043668-A2 ANTIMYCOBACTERIAL COMPOUNDS AND METHOD FOR MAKING THE SAME WELLESLEY COLLEGE (US) 2002-06-06 WO disclosed
EP-0398842-A1 Hydrazide derivatives CIBA-GEIGY AG (CH) 1990-11-22 EP disclosed
US-4252958-A ACETONE COMPOUND, AMMONIA DONER, HYDRAZINE HYDROHALIDE CATALYST ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed
US-3941808-A POLYAMIDE AMINE SALTS OF A STYRENE-MALEIC ANHYDRIDE COPOLYMER ATLANTIC RICHFIELD COMPANY (US) 1976-03-02 US 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 (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-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 TSHR 1566/4885ALDH1A1 1623/4885EPHX1 513/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 TSHR 935/4885ALDH1A1 793/4885EPHX1 889/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 TSHR 2187/4885ALDH1A1 334/4885EPHX1 792/4885

“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.