SCHEMBL5855326

SCHEMBL5855326

C=CCCCC#CCCC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TRPA1 O75762 3/20 0.33
PTPN7 P35236 3/20 0.30
HMGCR P04035 1/20 0.30

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
SCHEMBL7284670 0.90 TSHR (0.62) TSHRALDH1A1TRPA1PTPN7HMGCR
SCHEMBL7279691 0.88 TSHR (0.61) TSHRALDH1A1PTPN7HMGCR
SCHEMBL28701951 0.86 TSHR (0.65) TSHRALDH1A1PTPN7HMGCR
SCHEMBL8213043 0.86 TSHR (0.65) TSHRALDH1A1PTPN7HMGCR
SCHEMBL5856184 0.85
SCHEMBL5857596 0.84
SCHEMBL30461109 0.84 TSHR (0.50) TSHRALDH1A1TRPA1PTPN7HMGCR
SCHEMBL10804043 0.83 TSHR (0.61) TSHRALDH1A1TRPA1PTPN7HMGCR
SCHEMBL6576796 0.81 TSHR (0.73) TSHRALDH1A1TRPA1PTPN7HMGCR
SCHEMBL5872279 0.81 TSHR (0.73) TSHRALDH1A1TRPA1PTPN7HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP disclosed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB TSHR 1666/4885ALDH1A1 760/4885TRPA1 1337/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE TSHR 2487/4885ALDH1A1 571/4885TRPA1 1277/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC TSHR 2672/4885ALDH1A1 557/4885TRPA1 1795/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC TSHR 2672/4885ALDH1A1 557/4885TRPA1 1795/4885

“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.