SCHEMBL9496147

SCHEMBL9496147

CC(=O)On1c(=O)ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
BRD4 O60885 1/20 0.50
BRPF1 P55201 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4424854 0.86 CA12 (0.48) CA12CA9BRD4BRPF1KAT2B
SCHEMBL27418562 0.83 CA12 (0.46) CA12CA9BRD4BRPF1KAT2B
SCHEMBL10326300 0.81 CA12 (0.44) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1972478 0.81 CA12 (0.44) CA12CA9BRD4BRPF1KAT2B
SCHEMBL18346854 0.81 ALDH1A1 (0.49) CA12CA9BRD4BRPF1KAT2B
SCHEMBL3291445 0.81 CA12 (0.44) CA12CA9BRD4BRPF1KAT2B
SCHEMBL28847614 0.81 CA12 (0.45) CA12CA9BRD4BRPF1KAT2B
SCHEMBL20377455 0.80 CA12 (0.43) CA12CA9BRD4BRPF1KAT2B
SCHEMBL5179763 0.80 CA12 (0.43) CA12CA9BRD4BRPF1KAT2B
Water SCHEMBL28440490 0.80 CA12 (0.44) CA12CA9BRD4BRPF1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924243-A Quinoline derivative, pharmaceutical composition and application thereof 沈阳药科大学 2024-04-26 CN disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
EP-3022201-A1 AUTOTAXIN INHIBITORS Novartis AG (CH) 2016-05-25 EP disclosed
US-20150203467-A1 METHOD FOR PRODUCING LINEAR AND/OR CYCLIC CARBONATE ESTERS BAYER MATERIALSCIENCE AG (DE) 2015-07-23 US disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2015008229-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed
US-3953456-A ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 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 (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-20150203467-A1 METHOD FOR PRODUCING LINEAR AND/OR CYCLIC CARBONATE ESTERS MSMO1, CA4, ME1 CA12 12/4885CA9 18/4885BRD4 1984/4885

“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.