SCHEMBL17877818

SCHEMBL17877818

CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.38
▸ CA1 P00915 4/20 0.38
▸ TAS1R3 Q7RTX0 5/20 0.33
▸ TAS1R1 Q7RTX1 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL17961090 1.00 CA2 (0.38) CA2CA1TAS1R3TAS1R1POLB
SCHEMBL29382956 1.00 CA2 (0.38) CA2CA1TAS1R3TAS1R1POLB
SCHEMBL18307152 1.00 CA2 (0.38) CA2CA1TAS1R3TAS1R1POLB
SCHEMBL17974038 0.94 TAS1R3 (0.34) CA2CA1TAS1R3TAS1R1POLB
SCHEMBL29870167 0.82 TDP1 (0.46) POLBPTPN1TDP1
SCHEMBL29870166 0.82 TDP1 (0.46) POLBPTPN1TDP1
SCHEMBL17877817 0.79 OPRM1 (0.41) POLBPTPN1TDP1
SCHEMBL13425366 0.66 PTPN1 (0.42) KMT2APTPN1
SCHEMBL10431871 0.63 HIF1A (0.49) POLBPTPN1TDP1
SCHEMBL5407656 0.61 TAS1R3 (0.62) TAS1R3TAS1R1POLBKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017489-B2 Method for preparing benzopyran compound and application thereof in treating pulmonary fibrosis SHANGHAI JIAO TONG UNIVERSITY (CN) 2018-07-10 — — US disclosed
US-10017489-B2 Method for preparing benzopyran compound and application thereof in treating pulmonary fibrosis SHANGHAI JIAO TONG UNIVERSITY (CN) 2018-07-10 — — US disclosed
US-20160185742-A1 Method for Preparing Benzopyran Compound and Application thereof in Treating Pulmonary Fibrosis UNIV SHANGHAI JIAOTONG (CN) 2016-06-30 — — 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 (2 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-10017489-B2 Method for preparing benzopyran compound and application thereof in treating pulmonary fibrosis H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNC, FIBP CA2 1701/4885CA1 4423/4885TAS1R3 4851/4885
US-20160185742-A1 Method for Preparing Benzopyran Compound and Application thereof in Treating Pulmonary Fibrosis H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNC, FIBP CA2 1701/4885CA1 4423/4885TAS1R3 4851/4885

“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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