SCHEMBL7842579

SCHEMBL7842579

CC(C)(CCO)CCOCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34

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
SCHEMBL23603824 0.86 TSHR (0.44) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL27869478 0.83 TSHR (0.44) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL8909724 0.83 TSHR (0.44) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL3951532 0.80 KDM4E (0.50) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL7846503 0.80 CA1 (0.38) TSHRCA1L3MBTL1ALDH1A1CA2
SCHEMBL2593520 0.76 TSHR (0.52) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL13176618 0.76 KDM4E (0.50) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL18724950 0.76 KDM4E (0.46) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL12162462 0.76 KDM4E (0.46) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL7871593 0.76 MAPK1 (0.45) TSHRPOLBL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN TSHR 640/4885KDM4E 834/4885POLB 744/4885

“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.