SCHEMBL2761874

SCHEMBL2761874

CC1(C)OC(=O)c2ccc(OC3CCCCC3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.43
▸ MAOB P27338 4/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ APP P05067 1/20 0.37

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
SCHEMBL12478980 0.79 MAOB (0.56) MAOBHPGDALDH1A1
SCHEMBL12479183 0.79 MAOB (0.40) PDK2MAOBPTGS2HPGDMAOA
SCHEMBL619691 0.73 KDM4E (0.45) HPGDALDH1A1
SCHEMBL2761656 0.72 PTGS2 (0.40) PTGS2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL2761641 0.71 MAOA (0.56) PDK2MAOBHPGDMAOAGRM2
SCHEMBL1814585 0.70 ALDH1A1 (0.40) HPGDCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL20187352 0.70 KMT2A (0.39) MAOBMAOAALDH1A1
SCHEMBL12116974 0.70 MAOB (0.43) MAOBMAOACYP3A4ALDH1A1APP
SCHEMBL10610584 0.70 PDK2 (0.35) PDK2MAOBPTGS2HPGDPRMT5
SCHEMBL11865197 0.70 MAOB (0.51) PDK2MAOBHPGDMAOAALDH1A1

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-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 — — US disclosed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 — — US disclosed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 — — 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-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS HIF1AN, HIF1A, EGLN2 PDK2 51/4885MAOB 424/4885PTGS2 171/4885

“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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