SCHEMBL20183690

SCHEMBL20183690

CCn1c(=O)cc(C2CCC3(CC2)OCCO3)c2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
PTGER4 P35408 8/20 0.38
RAB9A P51151 2/20 0.37
TEAD1 P28347 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL20183648 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL20183697 0.83 KDM4E (0.48) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL21525862 0.82 HSD17B10 (0.41) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL20183811 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL20183676 0.76 KDM4E (0.44) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL20183609 0.75 KDM4E (0.44) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL20183587 0.75 KDM4E (0.41) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL20195143 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL21549568 0.73 KDM4E (0.39) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL20195204 0.73 KDM4E (0.41) ALDH1A1HSD17B10LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
WO-2018124180-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR 富士フイルム株式会社 2018-07-05 WO disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 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 (5 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 ALDH1A1 3243/4885HSD17B10 3331/4885LMNA 1830/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885HSD17B10 2168/4885LMNA 2949/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885HSD17B10 3331/4885LMNA 1830/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885HSD17B10 2168/4885LMNA 2949/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885HSD17B10 1512/4885LMNA 3356/4885

“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.