SCHEMBL16865462

SCHEMBL16865462

COc1cc2c(cc1C)OC(C)(C)C=C2C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.35
▸ HSP90AA1 P07900 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL16865554 0.75 HSP90AA1 (0.47) HIF1AHSP90AA1BCHE
SCHEMBL16865556 0.73 COXFA4 (0.50) HIF1AHSP90AA1BCHE
SCHEMBL16865495 0.65 HIF1A (0.59) HIF1AHSP90AA1
SCHEMBL6511105 0.64 CYP3A4 (0.47) HIF1AHSP90AA1KDM4E
SCHEMBL6278672 0.64 PPARG (0.43) HIF1AHSP90AA1KDM4E
SCHEMBL16865497 0.64 COXFA4 (0.53) HIF1AHSP90AA1BCHEPDE4D
SCHEMBL16694922 0.62 KDM4E (0.44) HIF1ABCHEKDM4EPDE4D
SCHEMBL6278743 0.62 HMGCR (0.42) HIF1AHSP90AA1KDM4E
SCHEMBL3701446 0.62 HIF1A (0.53) HIF1AHSP90AA1KDM4EPDE4D
SCHEMBL25769520 0.62 TSHR (0.52) KDM4EHDAC3HDAC4HDAC1HDAC7

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-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 — — US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 — — US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 — — 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN HIF1A 5/4885HSP90AA1 2/4885BCHE 4866/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P HIF1A 6/4885HSP90AA1 2/4885BCHE 4862/4885

“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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