SCHEMBL14948683

SCHEMBL14948683

OCC(OC1CCOCC1)c1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
ACACB O00763 5/20 0.38
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
ACACA Q13085 6/20 0.36

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
SCHEMBL29750427 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CACACB
SCHEMBL14948684 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CACACB
SCHEMBL14945585 0.87 ACACB (0.41) ACACBKAT2BBAZ2BACACA
SCHEMBL14945397 0.85 ACACB (0.47) ACACBACACA
SCHEMBL29700513 0.85 ACACB (0.47) ACACBACACA
SCHEMBL29642175 0.85 ACACB (0.47) ACACBACACA
SCHEMBL21816549 0.85 ACACB (0.47) ACACBACACA
SCHEMBL14945398 0.85 ACACB (0.47) ACACBACACA
SCHEMBL18137727 0.84 ACACB (0.39) ACACBKAT2BBAZ2BACACA
SCHEMBL21876832 0.83 ACACA (0.47) ACACBKAT2BBAZ2BACACA

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-110431144-B Cyano-substituted heteroaryl pyrimidone derivatives, and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
CN-110431144-A The heteroaryl hepyramine analog derivative and its preparation method and application that cyano replaces ZHEJIANG HISUN PHARM CO LTD 2019-11-08 CN disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO 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 (5 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-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ACACA, COASY, ACACB PDE4D 3031/4885PDE4A 2846/4885PDE4B 3044/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 PDE4D 3100/4885PDE4A 2812/4885PDE4B 2888/4885
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ACACA, COASY, ACACB PDE4D 3031/4885PDE4A 2846/4885PDE4B 3044/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 PDE4D 3100/4885PDE4A 2812/4885PDE4B 2888/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 PDE4D 3100/4885PDE4A 2812/4885PDE4B 2888/4885

“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.