SCHEMBL17338602

SCHEMBL17338602

CC(Oc1ccccc1)Oc1ccc2c(O)c(C(=O)O)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.45
BCL2L1 Q07817 3/20 0.41
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 2/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
ATIC P31939 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NUDT1 P36639 1/20 0.38
CSF1R P07333 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13771871 0.84 MCL1 (0.48) MCL1BCL2L1HSD17B10TSHRHPGD
SCHEMBL17338603 0.82 ALDH1A1 (0.48) HSD17B10TSHRHPGDCYP2C9THRB
SCHEMBL1041518 0.81 LMNA (0.54) MCL1BCL2L1HSD17B10HPGDKDM5A
SCHEMBL31668736 0.79 KDM4E (0.54) HSD17B10TSHRHPGDCAMKK1CAMKK2
SCHEMBL17338607 0.79 MAOB (0.54) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL17338576 0.77 SLC16A3 (0.49) MCL1KDM4CMEN1KMT2A
SCHEMBL28054675 0.76 ALDH1A1 (0.53) MCL1BCL2L1HSD17B10TSHRHPGD
SCHEMBL19877065 0.75 TP53 (0.47) KDM5AKDM4CKDM5B
SCHEMBL5145623 0.74 ALDH1A1 (0.51) MCL1BCL2L1TSHRHPGDMEN1
SCHEMBL5766222 0.74 ALDH1A1 (0.47) MCL1HSD17B10TSHRHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone UCL BUSINESS PLC (GB) 2018-10-02 US disclosed
EP-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
US-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2017-03-09 US disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 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 (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-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE CBR3, AGTR1, CBR1 MCL1 3505/4885BCL2L1 2377/4885HSD17B10 568/4885
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone AGTR1, CBR3, CBR1 MCL1 3532/4885BCL2L1 2523/4885HSD17B10 633/4885

“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.