SCHEMBL3980038

SCHEMBL3980038

CC1=C(C(=O)Cl)C(C)(C)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
HAO1 Q9UJM8 1/20 0.40
RARB P10826 8/20 0.37
ALDH1A1 P00352 7/20 0.36
RXRA P19793 7/20 0.36
RARA P10276 7/20 0.36
RARG P13631 7/20 0.36
MAPT P10636 4/20 0.36
PTGS1 P23219 4/20 0.36
CYP3A4 P08684 4/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
RORC P51449 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPK1 P28482 2/20 0.36
HTR2B P41595 2/20 0.36
BLM P54132 2/20 0.36
HIF1A Q16665 2/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 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
SCHEMBL8034537 0.83 CYP1A2 (0.49) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL9342959 0.82 CYP1A2 (0.51) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL1782075 0.82 CYP1A2 (0.47) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL9838256 0.80 CYP1A2 (0.46) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL17129798 0.77 CYP1A2 (0.44) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL7171679 0.77 CYP1A2 (0.44) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL12160497 0.77 CYP1A2 (0.44) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL15609811 0.76 CYP1A2 (0.46) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL14879901 0.76 CYP1A2 (0.46) CYP1A2HAO1RARBALDH1A1RXRA
SCHEMBL11448119 0.74 CYP1A2 (0.45) CYP1A2HAO1RARBALDH1A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402969-A 3-acyl-ingenol II LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
US-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-7427460-B2 Hydrazone-based charge transport materials having an ethylenically unsaturated group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-09-23 US disclosed
US-7378203-B2 Ferrocene(di)carboxaldehyde N-phenylhydrazone and monomeric, bridged or polymeric derivatives; good mechanical and electrostatic properties; can be used with liquid and dry toners to produce high quality images; imaging systems can be maintained after repeated cycling; electrography SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-27 US disclosed
US-7371493-B2 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-13 US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed
US-7344811-B2 Polysilane-based charge transport materials SAMSUNG ELECTRONIC CO., LTD. (KR) 2008-03-18 US disclosed
US-7316878-B2 Hydrazone-based charge transport materials having an unsaturated acyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-08 US disclosed
US-20060210897-A1 Charge transport materials having at least a metallocene group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-21 US disclosed
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-14 US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 US disclosed
US-20060166118-A1 Heterocycle-hydrazone based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-07-27 US disclosed
US-20060093933-A1 Polysilane-based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-05-04 US disclosed
US-20060046171-A1 Hydrazone-based charge transport materials having an unsaturated acyl group S-PRINTING SOLUTION CO., LTD. (KR) 2006-03-02 US disclosed
US-20060024598-A1 Hydrazone-based charge transport materials having an ethylenically unsaturated group S-PRINTING SOLUTION CO., LTD. (KR) 2006-02-02 US disclosed
US-4900870-A Process for the preparation of cycloaliphatic ketones FIRMENICH S.A. (CH) 1990-02-13 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 (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-20060166118-A1 Heterocycle-hydrazone based charge transport materials AQP1, SLC9B2, SLC9A2 CYP1A2 1188/4885HAO1 392/4885RARB 302/4885
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group TSPO, SLC43A1, LMNB2 CYP1A2 1533/4885HAO1 245/4885RARB 4119/4885
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 CYP1A2 1342/4885HAO1 440/4885RARB 1163/4885

“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.