SCHEMBL6441256

SCHEMBL6441256

Cc1ccc2c(c1)C(=O)c1cc3c(cc1=C2)C(=O)c1cc(C)ccc1C=3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
MAOA P21397 2/20 0.45
MAOB P27338 1/20 0.45
METAP1 P53582 2/20 0.38
LCK P06239 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP1 P09874 1/20 0.37
ACHE P22303 2/20 0.36
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO1 P15559 2/20 0.34
POR P16435 2/20 0.34
ROS1 P08922 1/20 0.33
CDK5 Q00535 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
SCHEMBL28265278 0.79 MAOA (0.48) ELANEMAOAMAOBMETAP1LCK
SCHEMBL31371061 0.79 MAOA (0.48) ELANEMAOAMAOBMETAP1LCK
SCHEMBL10604748 0.78 MAOA (0.47) ELANEMAOAMAOBMETAP1LCK
SCHEMBL3444764 0.72 MEN1 (0.48) ELANEMAOAACHEALDH1A1SMN1; SMN2
SCHEMBL16478431 0.72 MAOA (0.41) ELANEMAOAMAOBMETAP1LCK
SCHEMBL31674914 0.71 ELANE (0.77) ELANEMAOAMAOBMETAP1LCK
SCHEMBL583153 0.71 ELANE (0.86) ELANEMAOAMAOBMETAP1LCK
SCHEMBL4401141 0.71 ELANE (0.77) ELANEMAOAMAOBMETAP1LCK
SCHEMBL2610165 0.71 ELANE (0.77) ELANEMAOAMAOBMETAP1LCK
SCHEMBL182959 0.71 ELANE (0.86) ELANEMAOAMAOBMETAP1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 ELANE 1763/4885MAOA 3278/4885MAOB 2599/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA ELANE 1218/4885MAOA 2558/4885MAOB 2222/4885

“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.