SCHEMBL2761641

SCHEMBL2761641

CC1(C)OC(=O)c2cc(OCC3CCCCC3)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.56
▸ MAOB P27338 2/20 0.56
▸ BRD4 O60885 2/20 0.49
▸ CREBBP Q92793 2/20 0.49
▸ PARP10 Q53GL7 6/20 0.47
▸ PARP15 Q460N3 5/20 0.47
▸ PDK2 Q15119 2/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2494139 0.74 MAOB (0.57) MAOAMAOBHPGDALDH1A1
SCHEMBL31217566 0.74 PPIB (0.54) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL2761874 0.71 PDK2 (0.43) MAOAMAOBPDK2HPGDGRM2
SCHEMBL2761768 0.71 TLK2 (0.41) BRD4HPGDKDM4EALDH1A1GLA
SCHEMBL31580938 0.70 MAOB (0.61) MAOAMAOBPARP10PARP15
SCHEMBL20554464 0.69 MAOB (0.61) MAOAMAOBPARP10PARP15HPGD
SCHEMBL30132700 0.69 MAOB (0.61) MAOAMAOBPARP10PARP15HPGD
SCHEMBL10249569 0.67 MAOA (0.61) MAOAMAOBBRD4PARP10PARP15
SCHEMBL22168428 0.67 SLC6A2 (0.71) MAOAMAOBPARP10PARP15PDK2
SCHEMBL10267513 0.67 PARP10 (0.54) MAOAMAOBPARP10PARP15

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 MAOA 321/4885MAOB 424/4885BRD4 2439/4885

“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.

Send feedback