SCHEMBL3873017

SCHEMBL3873017

COc1cc2c3cc(C)c(C)cc3c3cc(C)c(C)cc3c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
ACHE P22303 2/20 0.40
NQO2 P16083 5/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3872898 0.97 MAPT (0.48) MAPTKDM4EATMTAAR1ACHE
SCHEMBL3873431 0.94 MAPT (0.47) MAPTKDM4EATMTAAR1ACHE
SCHEMBL8269049 0.82 TAAR1 (0.52) MAPTKDM4EATMTAAR1ACHE
SCHEMBL2954181 0.82 TAAR1 (0.56) MAPTKDM4EATMTAAR1ACHE
SCHEMBL12593193 0.82 KDM4E (0.46) MAPTKDM4EATMTAAR1NPC1
SCHEMBL12593179 0.82 HDAC3 (0.42) MAPTKDM4EATMTAAR1NQO2
SCHEMBL17445646 0.80 MAPT (0.50) MAPTKDM4EATMACHENQO2
SCHEMBL12363876 0.80 MAPT (0.39) MAPTKDM4EATMTAAR1ACHE
SCHEMBL12330214 0.79 TAAR1 (0.48) MAPTKDM4EATMTAAR1ACHE
SCHEMBL1711296 0.78 CYP3A4 (0.53) MAPTKDM4EACHENQO2PDE3B

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-7585928-B2 monomers of acetylenic homo- or copolymers; cured polymers has low dielectric constant as insulating layers in microelectronic devices DOW GLOBAL TECHNOLOGIES (US) 2009-09-08 US disclosed
US-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES LLC 2007-02-01 US disclosed
WO-2005042613-A1 MULTIFUNCTIONAL MONOMERS CONTAINING BOUND MESOGENIC PORAGEN FORMING MOIETIES AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-12 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 (1 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-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom LRBA, CD74, BMP2 MAPT 4021/4885KDM4E 4789/4885ATM 3553/4885

“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.