SCHEMBL20554784

SCHEMBL20554784

CN(C)c1c(O)ccc(C(=O)CCCl)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.37
▸ SHBG P04278 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SELL P14151 1/20 0.32
▸ SELP P16109 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 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
SCHEMBL20014212 0.79 PIK3CA (0.56) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL30132562 0.78 SHBG (0.55) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL20554833 0.78 SHBG (0.55) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL20554639 0.76 PIK3CA (0.45) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL30132476 0.75 PIK3CA (0.41) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL20554676 0.75 PIK3CA (0.40) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL20554618 0.75 PIK3CA (0.41) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL30132666 0.74 MAPT (0.42) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL20554382 0.74 MAPT (0.42) PIK3CASHBGMEN1KMT2AMAPT
SCHEMBL9717586 0.70 MAPK1 (0.40) PIK3CASHBGMEN1KMT2AMAPT

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 11 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
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 — — 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
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 — — US 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 (6 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 1728/4885MEN1 2035/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB PIK3CA 4167/4885SHBG 1965/4885MEN1 1979/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PIK3CA 3774/4885SHBG 1648/4885MEN1 1930/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PIK3CA 3546/4885SHBG 1372/4885MEN1 1939/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PIK3CA 3774/4885SHBG 1648/4885MEN1 1930/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PIK3CA 3546/4885SHBG 1372/4885MEN1 1939/4885

“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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