SCHEMBL3445934

SCHEMBL3445934

CCCCCPc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
DNM1 Q05193 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 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
Bromide SCHEMBL9244909 0.98 LTA4H (0.37) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5405337 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5397657 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5388357 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5389878 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
Hydrochloric Acid SCHEMBL25201413 0.98 LTA4H (0.37) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5393997 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL5394695 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL18660546 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL27793173 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372209-A Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2021-09-10 CN claimed
US-7816525-B1 Process for the preparation of optically pure tetrahydropterins and derivatives, and specifically of optically pure tetrahydrofolic acid and derivatives thereof, by stereospecific hydrogenation Merck & Cie (CH) 2010-10-19 US claimed
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation MULLER HANS RUDOLF 2008-12-11 US claimed
CN-1264842-C Process for the preparation of optically pure tetrahydropterin and derivatives thereof, in particular optically pure tetrahydrofolic acid and derivatives thereof, by stereoselective hydrogenation EPROVA AG (CH) 2006-07-19 CN claimed
CN-113372209-B Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2022-09-13 CN disclosed
CN-113372209-A Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2021-09-10 CN disclosed
CN-109320718-A A kind of high barrier transparent flexible display material and preparation method thereof 中国科学院长春应用化学研究所 2019-02-12 CN disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
CN-104271618-B Preparation of functional polymers using phosphide initiators 株式会社普利司通 2017-05-17 CN disclosed
EP-2831128-B1 PREPARATION OF FUNCTIONAL POLYMERS USING PHOSPHIDE INITIATORS BRIDGESTONE CORP (JP) 2016-11-30 EP disclosed
US-9163104-B2 Preparation of functional polymers using phosphide initiators BRIDGESTONE CORPORATION (JP) 2015-10-20 US disclosed
US-20150065673-A1 Preparation Of Functional Polymers Using Phosphide Initiators BRIDGESTONE CORPORATION (JP) 2015-03-05 US disclosed
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation MULLER HANS RUDOLF 2008-12-11 US disclosed
US-20080279809-A1 COATING MATERIAL FOR METAL SURFACES HAVING ANTIADHESIVE PROPERTIES HENKEL AG & CO. KGAA (DE) 2008-11-13 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
EP-1200437-B1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2004-03-10 EP disclosed
EP-1200437-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG Forschungsinstitut (CH) 2002-05-02 EP disclosed
WO-2001004120-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2001-01-18 WO disclosed
US-4301318-A OBTAINED BY REACTING ETHYLENE USING A NICKEL YLIDE CATALYST; SOLVENT EXTRACTION OF CATALYST USING AMMONIUM HYDROXIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-11-17 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-20080279809-A1 COATING MATERIAL FOR METAL SURFACES HAVING ANTIADHESIVE PROPERTIES ZKSCAN2, CAD, ZRANB2 LTA4H 1284/4885SIGMAR1 686/4885CES2 1809/4885
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation DHFR, MTHFD2, MTHFD1 LTA4H 1467/4885SIGMAR1 4170/4885CES2 4126/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 LTA4H 3423/4885SIGMAR1 626/4885CES2 2758/4885

“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.