SCHEMBL4247858

SCHEMBL4247858

CC(C)(Oc1ccccc1Cl)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
HSD11B2 P80365 4/20 0.44
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ERBB2 P04626 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
CXCL8 P10145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
XIAP P98170 1/20 0.38

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
SCHEMBL9589205 0.84 HSD11B1 (0.47) HSD11B1HSD11B2CNR1ALDH1A1KDM4E
SCHEMBL1046455 0.84 ALDH1A1 (0.60) HSD11B1HSD11B2CNR1ALDH1A1KDM4E
SCHEMBL12301773 0.84 HSD11B1 (0.44) HSD11B1HSD11B2CNR1ALDH1A1KDM4E
SCHEMBL29195871 0.82 ALDH1A1 (0.58) HSD11B1HSD11B2CNR1ALDH1A1KDM4E
SCHEMBL28821566 0.80 TDP1 (0.49) ALDH1A1KDM4EHSD17B10MAPTKMT2A
SCHEMBL4423002 0.77 PPARA (0.59) CNR1ALDH1A1MAPTRAB9A
SCHEMBL16585163 0.77 KMT2A (0.46) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL2737124 0.76 LMNA (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL2668311 0.76 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL28343305 0.76 LMNA (0.46) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 US claimed
EP-1689229-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF United States Army Medical Research and Materiel Command (US) 2006-08-16 EP claimed
WO-2005046329-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF UNITED STATES MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-05-26 WO claimed
US-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof ARMY, UNITED STATES 2005-05-12 US claimed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 US disclosed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 US disclosed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 US disclosed
US-7498331-B2 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-03-03 US disclosed
US-7498331-B2 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-03-03 US disclosed
EP-1689229-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF United States Army Medical Research and Materiel Command (US) 2006-08-16 EP disclosed
WO-2005046329-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF UNITED STATES MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-05-26 WO disclosed
US-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof ARMY, UNITED STATES 2005-05-12 US disclosed
US-4339372-A Process of preparing stabilized polychloroprene latex DISTUGIL (FR) 1982-07-13 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-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof TYR, ABCG2, CHIA HSD11B1 1575/4885HSD11B2 1881/4885CNR1 224/4885
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof TYR, ABCG2, CHIA HSD11B1 1575/4885HSD11B2 1881/4885CNR1 224/4885

“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.