SCHEMBL514730

SCHEMBL514730

N#CC([C]=O)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
TSHR P16473 2/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL134312 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL10593807 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
Cyanamide SCHEMBL7212151 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTCYP19A1
Guanidine SCHEMBL3878079 0.77 PRSS1 (0.50) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL8999045 0.75 CES2 (0.50) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL9068811 0.74 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL1712503 0.73 KMT2A (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3094764 0.72 EGFR (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28310325 0.72 CYP19A1 (0.42) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL9068806 0.71 CES2 (0.50) ALDH1A1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332564-B2 Method to produce stimuli sensitive UV absorbing polymers GALAXY SURFACTANTS LTD. (IN) 2022-05-17 US claimed
US-20210301052-A1 METHOD TO PRODUCE STIMULI SENSITIVE UV ABSORBING POLYMERS GALAXY SURFACTANTS LTD (IN) 2021-09-30 US claimed
EP-2598471-B1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEM CO (US) 2020-11-25 EP claimed
EP-3725756-A2 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING AMINES, OR COLORANTS, AND AN ADDUCT OF THE THREE COMPOUNDS N-(N-BUTYL) THIOPHOSPHORIC ACID TRIAMIDE (NBPT), UREA, AND FORMALDEHYDE BASF SE (DE) 2020-10-21 EP claimed
CN-105899612-B Increase-volume composition, the product formed by it and the method for manufacturing them 沙特基础工业全球技术有限公司 2018-05-29 CN claimed
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-12-28 US claimed
EP-3237360-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-11-01 EP claimed
WO-2016103168-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2016-06-30 WO claimed
US-8846723-B2 Esters of O-substituted hydroxy carboxylic acids and preparations thereof EASTMAN CHEMICAL COMPANY (US) 2014-09-30 US claimed
EP-2509579-B1 NOVEL COMPOUND DSM IP ASSETS BV (NL) 2014-09-03 EP claimed
EP-2598471-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF Eastman Chemical Company (US) 2013-06-05 EP claimed
US-20120288456-A1 NOVEL COMPOUND DSM IP ASSETS B.V. (NL) 2012-11-15 US claimed
EP-2509579-A2 NOVEL COMPOUND DSM IP Assets B.V. (NL) 2012-10-17 EP claimed
WO-2012015790-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEMICAL COMPANY (US) 2012-02-02 WO claimed
US-20120029198-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEMICAL COMPANY (US) 2012-02-02 US claimed
WO-2011070077-A2 NOVEL COMPOUND DSM IP ASSETS B.V. (NL) 2011-06-16 WO claimed
US-12037300-B2 Use of a cation source to prevent decomposition of (thio)phosphoric acid triamide urease inhibitors when a phosphorus-containing fertilizer is present BASF SE (DE) 2024-07-16 US disclosed
EP-3436416-B1 USE OF A CATION SOURCE TO PREVENT DECOMPOSITION OF (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITORS WHEN A PHOSPHORUS-CONTAINING FERTILIZER IS PRESENT BASF SE (DE) 2024-01-24 EP disclosed
EP-0113318-B1 (4-HYDROXYPHENYLTHIO)-IMIDE STABILIZERS CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
EP-0053098-A2 Alkanol-amine esters of cyclic 1,1'-biphenyl-2,2'-diyl and alkylidene-1,1'-biphenyl-2,2'-diyl phosphites CIBA-GEIGY AG (CH) 1982-06-02 EP 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 (5 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-20120029198-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF HCAR2, OXER1, FASN ALDH1A1 254/4885KMT2A 2442/4885MEN1 3919/4885
US-11332564-B2 Method to produce stimuli sensitive UV absorbing polymers CUTA, C9, ERCC1 ALDH1A1 1117/4885KMT2A 4827/4885MEN1 606/4885
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP ALDH1A1 1062/4885KMT2A 2627/4885MEN1 4263/4885
US-20210301052-A1 METHOD TO PRODUCE STIMULI SENSITIVE UV ABSORBING POLYMERS CUTA, C9, ERCC1 ALDH1A1 1117/4885KMT2A 4827/4885MEN1 606/4885
US-20120288456-A1 NOVEL COMPOUND MGLL, DGKZ, DGAT2 ALDH1A1 2800/4885KMT2A 1768/4885MEN1 4020/4885

“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.