SCHEMBL20554639

SCHEMBL20554639

O=C(CCCl)c1ccc(O)c(Cl)c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.45
▸ SHBG P04278 1/20 0.39
▸ SELL P14151 1/20 0.35
▸ SELP P16109 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL9717586 0.87 MAPK1 (0.40) PIK3CASHBGSELLSELPMAPK1
SCHEMBL20014212 0.85 PIK3CA (0.56) PIK3CASHBGSELLSELPALDH1A1
SCHEMBL22500456 0.81 HTT (0.51) PIK3CAALDH1A1MEN1MAPTKMT2A
SCHEMBL30132476 0.80 PIK3CA (0.41) PIK3CASHBGSELLSELPALDH1A1
SCHEMBL30132562 0.80 SHBG (0.55) PIK3CASHBGALDH1A1MEN1MAPT
SCHEMBL20554676 0.80 PIK3CA (0.40) PIK3CASHBGSELLSELPMEN1
SCHEMBL20554618 0.80 PIK3CA (0.41) PIK3CASHBGSELLSELPALDH1A1
SCHEMBL20554833 0.80 SHBG (0.55) PIK3CASHBGALDH1A1MEN1MAPT
SCHEMBL22500510 0.80 HTT (0.58) PIK3CAALDH1A1MEN1MAPTKMT2A
SCHEMBL481119 0.79 HSP90AB1 (0.52) PIK3CASHBGSELLSELPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 — — US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 — — US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 — — US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 — — US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 — — EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 — — CN disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 — — EP 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 (4 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA PIK3CA 3986/4885SHBG 1728/4885SELL 3209/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB PIK3CA 4167/4885SHBG 1965/4885SELL 3519/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PIK3CA 3546/4885SHBG 1372/4885SELL 3809/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PIK3CA 3774/4885SHBG 1648/4885SELL 4112/4885

“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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