SCHEMBL7611023

SCHEMBL7611023

O=CCCCC(CC(=O)O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
GSTK1 Q9Y2Q3 2/20 0.33
TSHR P16473 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FOLH1 Q04609 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC2 Q92769 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
SCHEMBL7613804 0.93 HIF1A (0.38) HIF1ASLC22A6CACNA2D1GSTK1TSHR
SCHEMBL7613427 0.91 GPR84 (0.38) HIF1ASLC22A6GSTK1TSHRGPR84
SCHEMBL7617453 0.86 SLC22A6 (0.38) HIF1ASLC22A6CACNA2D1TSHRCACNB3
SCHEMBL11546916 0.80 GSTK1 (0.36) SLC22A6CACNA2D1GSTK1CACNB3CACNA1C
SCHEMBL7620838 0.80 MAPT (0.48) SLC22A6CACNA2D1GSTK1TSHRCACNB3
SCHEMBL8048193 0.79 TSHR (0.45) TSHRGPR84
SCHEMBL284937 0.78 ENPEP (0.39) HIF1ASLC22A6TSHR
SCHEMBL6674994 0.78 BHMT (0.41) HIF1ATSHRGPR84
SCHEMBL8065335 0.78 TSHR (0.44) TSHRGPR84
SCHEMBL10170702 0.74 SLC22A6 (0.50) HIF1ASLC22A6CACNA2D1TSHRCACNB3

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 3032/4885SLC22A6 2499/4885CACNA2D1 1993/4885

“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.