SCHEMBL1305255

SCHEMBL1305255

NCCNCC(=O)O.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48
GABBR2 O75899 1/20 0.48
CYP1A2 P05177 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRR1 P24046 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRR2 P28476 1/20 0.48
SLC6A1 P30531 1/20 0.48
GABRA5 P31644 1/20 0.48

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
SCHEMBL11666501 1.00
SCHEMBL25747 0.97
SCHEMBL28382506 0.95 CA2 (0.52) LMNAKMT2ATHRBBLMNPSR1
SCHEMBL27732040 0.95
SCHEMBL20741410 0.95
Hydrochloric Acid SCHEMBL1728565 0.95
Ammonia Solution, Strong SCHEMBL7610754 0.95
SCHEMBL5598893 0.95
SCHEMBL7466944 0.95
SCHEMBL510877 0.92 CA2 (0.55) LMNAKMT2ATHRBBLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108078828-A A kind of baby's frost and its preparation process 厦门嘉宝莱化妆品有限公司 2018-05-29 CN claimed
CN-103361149-A Clutch release bearing lubricating assembly SHANGHAI SHILU INFORMATION TECHNOLOGY CO LTD 2013-10-23 CN claimed
CN-103205302-A Novel formula of motor vehicle bearing butter with continuously descaling function SHANGHAI SHILU INFORMATION TECHNOLOGY CO LTD 2013-07-17 CN claimed
CN-110870849-A Sulfamonomethoxine sodium injection and preparation method and preparation system thereof 四川志邦生物科技有限公司 2020-03-10 CN disclosed
CN-106029050-B Hair cosmetics composition and its application method 朋友株式会社 2019-06-18 CN disclosed
CN-108078828-A A kind of baby's frost and its preparation process 厦门嘉宝莱化妆品有限公司 2018-05-29 CN disclosed
CN-108078828-A A kind of baby's frost and its preparation process 厦门嘉宝莱化妆品有限公司 2018-05-29 CN disclosed
CN-107669564-A It is a kind of that there is reparative regeneration, replenishing water and preserving moisture, the skin care compositions of anti-aging 江少卿 2018-02-09 CN disclosed
CN-104045771-B Preparation method of homogeneous-phase synthesized betaine type amphoteric cellulose 南京林业大学 2017-02-15 CN disclosed
CN-104164805-B A method of enhancing papermaking wet-end paper strength by applying betaine amphoteric cellulose 南京林业大学 2017-01-18 CN disclosed
CN-105816351-A Cosmetic composition containing polyurethane dispersion 科思创聚合物(中国)有限公司 2016-08-03 CN disclosed
CN-101227889-B Cosmetics comprising a modified organopolysiloxane DOW CORNING TORAY CO LTD 2012-11-07 CN disclosed
US-8053592-B2 Method for producing optically active α-ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-08 US disclosed
US-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-7902404-B2 Method for producing optically active α-ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-27 US disclosed
US-7434586-B2 Tobacco odor deodorizing perfume composition, tobacco odor deodorant, cigarette low in sidestream smoke odor, and tobacco package JAPAN TOBACCO INC. (JP) 2008-10-14 US disclosed
CN-101227889-A Cosmetics comprising a modified organopolysiloxane DOW CORNING TORAY CO LTD (JP) 2008-07-23 CN disclosed
US-20060160719-A1 Flavor and fragrance compositions TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-20 US disclosed
CN-1473010-A Perfume compositions for deodorizing tobacco, tobacco deodorizing agents and cigarette and tobacco packages with little side smoke flow odor �ձ��̲ݲ�ҵ��ʽ���� 2004-02-04 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 (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-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE INF2, HSD17B1, AGL LMNA 802/4885KMT2A 4638/4885THRB 2489/4885
US-20060160719-A1 Flavor and fragrance compositions TAS2R8, TAS2R5, TAS2R7 LMNA 3968/4885KMT2A 1609/4885THRB 2136/4885
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone HSD17B1, ENO1, INF2 LMNA 851/4885KMT2A 4695/4885THRB 1915/4885

“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.