SCHEMBL20718751

SCHEMBL20718751

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(=O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1A P08908 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL30318774 0.85 HTR7 (0.41) GPR84HTR1AHPGDNPC1RAB9A
SCHEMBL1691086 0.85 HTR7 (0.41) GPR84HTR1AHPGDNPC1RAB9A
SCHEMBL19643364 0.82 NPSR1 (0.40) CA1CA2CA7CA9PDE10A
SCHEMBL5569714 0.82 MEN1 (0.38) GPR84HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29559258 0.77 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28883279 0.76 CA1 (0.50) CA1CA2CA7CA9GPR84
SCHEMBL20554171 0.75 GPR84 (0.40) CA1CA2CA7CA9PDE10A
SCHEMBL30008143 0.75 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20862871 0.74 CA1 (0.44) CA1CA2CA7CA9PDE10A
SCHEMBL6845758 0.74 CA1 (0.39) CA1CA2CA7CA9PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2025-04-15 US disclosed
WO-2025049820-A1 STAT6 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
EP-4488275-A1 COMPOUND CONTAINING FIVE-MEMBERED HETEROAROMATIC RING STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-01-08 EP disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
CN-111406059-B Europium complexes 东曹株式会社 2023-04-18 CN disclosed
EP-3505519-B1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2022-01-05 EP disclosed
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 US disclosed
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 US disclosed
US-20200262813-A1 1,5,7-TRISUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 US disclosed
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 US disclosed
EP-3505519-A1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 US disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 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 (8 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-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 CA1 4642/4885CA2 4434/4885CA7 2661/4885
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 CA1 1115/4885CA2 401/4885CA7 273/4885
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 CA1 3369/4885CA2 1345/4885CA7 1469/4885
US-20200262813-A1 1,5,7-TRISUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES CYP3A7, UGT2B7, UGT1A7 CA1 2595/4885CA2 2112/4885CA7 234/4885
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES CYP3A4, CYP4B1, CYP3A7 CA1 3578/4885CA2 3112/4885CA7 549/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 CA1 1581/4885CA2 477/4885CA7 337/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 CA1 3369/4885CA2 1345/4885CA7 1469/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 CA1 4642/4885CA2 4434/4885CA7 2661/4885

“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.