SCHEMBL2921664

SCHEMBL2921664

[CH2]Cc1cccc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MDM4 O15151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL21802665 0.83 MEN1 (0.47) KDM4EPTPN5
SCHEMBL28874730 0.83 TAAR1 (0.42) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL21802668 0.83 MEN1 (0.47) KDM4EPTPN5
SCHEMBL17801461 0.83 DAO (0.45) RXRAKIF11SIGMAR1GRIN1GRIN2B
SCHEMBL7855054 0.80 PTGS2 (0.33) SMN1; SMN2SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL4063234 0.80 ACHE (0.44) MAPTBCHE
SCHEMBL4055895 0.80 ACHE (0.44) MAPTBCHE
SCHEMBL598569 0.80 CYP1A2 (0.45) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL31190190 0.80 CYP1A2 (0.45) HDAC4HDAC8KDM4EMDM4ALDH1A1
Ammonia Solution, Strong SCHEMBL3177650 0.78 PTGS2 (0.44) HDAC4HDAC8KDM4EMDM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143782-A1 PVC PLASTICIZERS AND METHODS FOR MAKING THEREOF KRATON POLYMERS LLC (US) 2019-07-25 WO disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
EP-1467251-B1 Positive resist composition FUJIFILM CORP (JP) 2010-09-08 EP disclosed
CN-100415725-C Pyrimidine compound and application thereof SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed
US-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed
US-7361446-B2 Sensitivity, high resolution, good pattern profile, used for super-microlithography FUJIFILM CORPORATION (JP) 2008-04-22 US disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 CN disclosed
US-6692883-B2 GENERATING ACID; ADJUSTMENT SOLUBILITY IN ALKLAINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
EP-1367439-A1 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2003-12-03 EP disclosed
US-6630280-B1 Resin and compound that generates an arylsulfonic acid when exposed to actinic radiation; sensitivity; resolution; smoothness FUJI PHOTO FILM CO., LTD. (JP) 2003-10-07 US disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 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-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD HDAC4 3064/4885HDAC8 3448/4885KDM4E 1535/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT HDAC4 1003/4885HDAC8 1627/4885KDM4E 856/4885

“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.