SCHEMBL577753

SCHEMBL577753

CCCCCCCCCCCC[N]C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 3/20 0.47
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 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
SCHEMBL302707 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL303118 1.00
SCHEMBL9219931 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL2564589 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL3386412 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL2565171 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL304992 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL577732 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL59455 1.00
SCHEMBL303552 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042007-B1 AMINOBIGUANIDES AND THE USE THEREOF TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS ALCON LAB INC (US) 2004-08-11 EP claimed
EP-1640361-B9 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-11-04 EP disclosed
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 US disclosed
EP-1640361-B1 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-05-27 EP disclosed
CN-102459194-B Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2014-10-29 CN disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 US disclosed
EP-2418204-B1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST UNIV KYOTO (JP) 2013-07-24 EP disclosed
CN-102459194-A Compound having heterocyclic skeleton and method for producing optically active compound using the same as asymmetric catalyst UNIV KYOTO 2012-05-16 CN disclosed
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US disclosed
US-4133686-A ANILINOPYRAZOLINONE MAGENTA COLOR FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1979-01-09 US disclosed
US-4105649-A AQUEOUS POLYMERIC THICKENING AGENTS THE DOW CHEMICAL COMPANY (US) 1978-08-08 US disclosed
US-4038265-A VINYL BENZYL ETHERS AND NONIONIC WATER SOLUBLE THICKENING AGENTS PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1977-07-26 US disclosed
US-4029874-A Vinyl benzyl ethers and nonionic water soluble thickening agents prepared therefrom THE DOW CHEMICAL COMPANY (US) 1977-06-14 US disclosed
US-4029872-A Vinyl benzyl ethers and nonionic water soluble thickening agents prepared therefrom THE DOW CHEMICAL COMPANY (US) 1977-06-14 US disclosed
US-4008202-A Aqueous thickening agents derived from vinyl benzyl ether polymers THE DOW CHEMICAL COMPANY (US) 1977-02-15 US disclosed
US-3963684-A COPOLYMERS WITH ACRYLAMIDE THE DOW CHEMICAL COMPANY (US) 1976-06-15 US disclosed
US-3960570-A ALPHA-ACYLACETOAMIDE YELLOW DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JA) 1976-06-01 US disclosed
US-3951591-A Process for dyeing synthetic fiber materials HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3935016-A Silver halide color photographic materials containing 3-anilino-5-pyrazolone couplers FUJI PHOTO FILM COMPANY, LTD. (JA) 1976-01-27 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 (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-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 TSHR 4515/4885THRB 3553/4885MEN1 309/4885
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST CCNL2, ASH2L, AHR TSHR 2501/4885THRB 1410/4885MEN1 820/4885

“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.