SCHEMBL29655341

SCHEMBL29655341

COc1cc2c(=O)c(OC)coc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA13 Q8N1Q1 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL3358528 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10TUBB4ATUBB
SCHEMBL7230100 0.80 TUBB4A (0.54) ALDH1A1CA12CA1CA7CA9
SCHEMBL28314002 0.73 NPC1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7231294 0.72 MAOA (0.62) ALDH1A1CA12CA1CA7CA9
SCHEMBL22426441 0.70 MAOA (0.72) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8381228 0.69 CA9 (0.64) ALDH1A1CA12CA1CA7CA9
SCHEMBL571684 0.68 MAPT (0.54) ALDH1A1CA12CA1CA7CA9
SCHEMBL4096663 0.68 MAOA (0.59) ALDH1A1CA12CA1CA7CA9
SCHEMBL24262856 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL29643349 0.67 TUBB4A (0.64) ALDH1A1KDM4EHPGDHSD17B10TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357809-B2 Herbal preparation for stimulation of hair growth, control of hair fall, dandruff and infections thereof using Ageratum spp GE NUTRIENTS, INC. (US) 2022-06-14 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 (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-11357809-B2 Herbal preparation for stimulation of hair growth, control of hair fall, dandruff and infections thereof using Ageratum spp HES1, AGER, IL36G ALDH1A1 1080/4885CA12 2012/4885CA1 3493/4885

“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.