SCHEMBL3778441

SCHEMBL3778441

C#Cc1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
MCL1 Q07820 2/20 0.42
PPARD Q03181 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
TNF P01375 1/20 0.41

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
SCHEMBL3798335 0.83 CA12 (0.62) CA12CA1CA2CA9HDAC8
SCHEMBL3780798 0.81 MCL1 (0.43) CA12CA1CA2CA9HDAC8
SCHEMBL30122908 0.81 CA12 (0.66) CA12CA1CA2CA9HDAC8
SCHEMBL3842565 0.81 KEAP1 (0.41) CA12CA1CA2CA9HDAC8
SCHEMBL10296082 0.81 CYP1A2 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL22360100 0.79 CA1 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL3771504 0.79 CYP11B1 (0.46) CA1CA2CYP1A2
SCHEMBL316112 0.79 TNF (0.57) CA12CA1CA2CA9HDAC8
SCHEMBL10051189 0.78 CYP1A2 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL26750958 0.78 CYP1A2 (0.49) CA12CA1CA2CA9HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-7303856-B2 Light-sensitive sheet comprising support, first light-sensitive layer and second light-sensitive layer FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-7150955-B2 Light-sensitive sheet comprising support, first and second light-sensitive layers and barrier layer FUJI PHOTO FILM CO., LTD. (JP) 2006-12-19 US disclosed
US-20050037281-A1 Light-sensitive sheet comprising support, first and second light-sensitive layers and barrier layer FUJI PHOTO FILM CO., LTD. 2005-02-17 US disclosed
EP-1507171-A2 Light-Sensitive sheet comprising support, first and second light-sensitive layers and barrier layer FUJI PHOTO FILM CO., LTD. (JP) 2005-02-16 EP disclosed
US-20050025946-A1 Light-sensitive sheet comprising support, first light-sensitive layer and second light-sensitive layer FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed
EP-1489460-A2 Light-sensitive sheet comprising support, first light-sensitive layer and second light-sensitive layer Fuji Photo Film Co., Ltd. (JP) 2004-12-22 EP 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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 CA12 2629/4885CA1 2045/4885CA2 2110/4885

“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.