SCHEMBL13155383

SCHEMBL13155383

CC(=O)c1oc2cc(C)ccc2c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.45
▸ LDHA P00338 3/20 0.44
▸ LDHB P07195 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ALB P02768 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CA12 O43570 1/20 0.39

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
SCHEMBL13155390 0.81 PTGS2 (0.47) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4655120 0.78 MCL1 (0.71) MCL1LDHALDHBKDM4EALDH1A1
SCHEMBL10900622 0.77 NPC1 (0.55) MCL1LDHALDHBKDM4EALDH1A1
SCHEMBL13155410 0.76 KDM4E (0.54) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL13501462 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13155406 0.75 HPGD (0.41) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL13155388 0.75 KCNH2 (0.45) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL11748076 0.74 ALB (0.51) MCL1LDHALDHBKDM4EALDH1A1
SCHEMBL10913333 0.73 MCL1 (0.48) MCL1LDHALDHBKDM4EALDH1A1
SCHEMBL11745212 0.72 L3MBTL1 (0.47) MCL1KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 — — US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 — — US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 — — US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 — — US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 — — 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885LDHA 1222/4885LDHB 802/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885LDHA 1222/4885LDHB 802/4885

“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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