SCHEMBL7613804

SCHEMBL7613804

O=CCCCCC(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
GSTK1 Q9Y2Q3 2/20 0.36
GPR84 Q9NQS5 4/20 0.35
TSHR P16473 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
FOLH1 Q04609 1/20 0.31

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
SCHEMBL7613427 0.98 GPR84 (0.38) HIF1AGSTK1GPR84TSHRSLC22A6
SCHEMBL7611023 0.93 HIF1A (0.39) HIF1AGSTK1GPR84TSHRSLC22A6
SCHEMBL8048193 0.85 TSHR (0.45) GPR84TSHRFAAHTRPV1
SCHEMBL7617453 0.84 SLC22A6 (0.38) HIF1AGPR84TSHRSLC22A6CACNA2D1
SCHEMBL8065335 0.84 TSHR (0.44) GPR84TSHRFAAHTRPV1
SCHEMBL11546916 0.83 GSTK1 (0.36) GSTK1GPR84SLC22A6CACNA2D1CACNB3
SCHEMBL7615140 0.81 MAPT (0.52) GSTK1GPR84TSHR
SCHEMBL7619319 0.79 MAPT (0.55) GSTK1GPR84TSHR
SCHEMBL14798190 0.79 GPR84 (0.60) GPR84TSHRSLC22A6FAAH
SCHEMBL15541796 0.79 BHMT (0.40) HIF1AGPR84TSHR

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-6433150-B2 Anthracycline analogues bearing latent alkylating substituents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-13 US disclosed
US-20010053845-A1 Anthracycline analogues bearing latent alkylating substituents BOARD OF REGENTS 2001-12-20 US disclosed
US-6284737-B1 ANTICARCER AGENTS PRO-NEURON, INC. 2001-09-04 US disclosed
EP-0555358-B1 ANTHRACYCLINE ANALOGUES BEARING LATENT ALKYLATING SUBSTITUENTS UNIV TEXAS (US) 1994-08-10 EP disclosed
EP-0555358-A1 ANTHRACYCLINE ANALOGUES BEARING LATENT ALKYLATING SUBSTITUENTS. UNIV TEXAS (US) 1993-08-18 EP disclosed
US-5196522-A Antitumor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-03-23 US disclosed
WO-1992007866-A1 ANTHRACYCLINE ANALOGUES BEARING LATENT ALKYLATING SUBSTITUENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-14 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-20010053845-A1 Anthracycline analogues bearing latent alkylating substituents BCR, MCL1, NCL HIF1A 3032/4885GSTK1 910/4885GPR84 3198/4885

“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.