SCHEMBL13812367

SCHEMBL13812367

Cc1cc(C)cc(C(=O)C[C@H](C)CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.43
▸ HPGD P15428 2/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ C1S P09871 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL7457008 0.83 TPMT (0.42) TPMTHPGDTAS1R3TAS1R1HCAR1
SCHEMBL7977511 0.83 TPMT (0.42) TPMTHPGDTAS1R3TAS1R1HCAR1
SCHEMBL7266611 0.74 TPMT (0.54) TPMTHPGDTAS1R3TAS1R1HCAR1
SCHEMBL14006544 0.74 TSHR (0.57) HPGDTDP1NPC1ALDH1A1RAB9A
SCHEMBL96580 0.74 TSHR (0.57) HPGDTDP1NPC1ALDH1A1RAB9A
SCHEMBL11974562 0.72 TPMT (0.56) TPMTHPGDTAS1R3TAS1R1HCAR1
SCHEMBL30089552 0.72 TPMT (0.56) TPMTHPGDHCAR1ALDH1A1PRSS1
SCHEMBL5255481 0.72 GSK3B (0.52) HPGDTDP1NPC1ALDH1A1RAB9A
SCHEMBL28037220 0.72 TPMT (0.47) TPMTTAS1R3TAS1R1HCAR1NPC1
SCHEMBL14289366 0.71 KMT2A (0.46) HPGDNPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 — — US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 — — US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 — — US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 — — US 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-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR TPMT 2502/4885HPGD 495/4885TAS1R3 542/4885

“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.

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