Sugi Predict

Sugi Predict / Compounds / SCHEMBL3099811

SCHEMBL3099811

SCHEMBL3099811

CCc1c(C(=O)c2ccccc2OC)oc2cc(-c3cccc(C#N)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CTSA P10619 1/20 0.37
▸ ACLY P53396 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL3561731 0.82 MAPK1 (0.49) HSD17B10ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL3100585 0.81 XDH (0.39) XDHSLC22A12MAPTUSP7GRIA2
SCHEMBL3108541 0.77 TUBB4A (0.50) HSD17B10ALDH1A1TSHRLMNACYP3A4
SCHEMBL13335731 0.71 PLG (0.41) XDHSLC22A12KMT2ASMN1; SMN2MAPT
SCHEMBL3094232 0.71 TUBB4A (0.42) HSD17B10ALDH1A1TSHRLMNAALOX15
SCHEMBL3100635 0.71 TUBB4A (0.46) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL13335708 0.70 MAPT (0.43) ALDH1A1CYP3A4ALOX15XDHSLC22A12
SCHEMBL9575546 0.70 NPC1 (0.47) LMNASMN1; SMN2L3MBTL1
SCHEMBL13335691 0.69 XDH (0.42) XDHSLC22A12MAPTPGR
SCHEMBL3320605 0.68 MKNK1 (0.51) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1

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-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

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 HSD17B10 1269/4885ALDH1A1 609/4885TSHR 4618/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSD17B10 1269/4885ALDH1A1 609/4885TSHR 4618/4885

“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.