SCHEMBL6056909

SCHEMBL6056909

CCC(C)c1ccc2c(c1)C(=O)c1cc3c(cc1C2)C(=O)c1cc(C(C)CC)ccc1C3

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 2/20 0.38
METAP1 P53582 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 2/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4889560 0.89 ALDH1A1 (0.46) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL4898011 0.82 HSD17B10 (0.46) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL28964213 0.78 CYP17A1 (0.52) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL15458064 0.77 HSD17B10 (0.42) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL526598 0.77 NPC1 (0.56) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL10064128 0.76 MAOA (0.44) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL8166417 0.76 CLK4 (0.46) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL14269726 0.75 MAOA (0.60) HPGDHSD17B10ALDH1A1MAOAGFER
SCHEMBL19553545 0.74 ACHE (0.55) HDAC4HDAC2HDAC8HPGDHSD17B10
SCHEMBL29980268 0.74 ACHE (0.55) HDAC4HDAC2HDAC8HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433211-B1 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP disclosed
US-20050288522-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6974877-B2 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-13 US disclosed
US-6864396-B2 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US disclosed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US disclosed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
US-20030097010-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO 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 (4 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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 HDAC4 3476/4885HDAC2 2359/4885HDAC8 2678/4885
US-20030097010-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA HDAC4 2932/4885HDAC2 1597/4885HDAC8 607/4885
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors ETV1, HTR3C, SLC43A1 HDAC4 2588/4885HDAC2 1677/4885HDAC8 2309/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA HDAC4 2932/4885HDAC2 1597/4885HDAC8 607/4885

“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.