SCHEMBL193524

SCHEMBL193524

CCCCc1c[c]c(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39

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
SCHEMBL192374 0.92 PTGS2 (0.50) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL191629 0.87 LPL (0.39) SKP2CA2ALDH1A1KDM4EPLK1
SCHEMBL1539433 0.79 CA2 (0.42) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL191797 0.78
SCHEMBL11490049 0.78 ALDH1A1 (0.47) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL3459858 0.78 ALDH1A1 (0.44) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL28869387 0.78 CA2 (0.41) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL4762927 0.75 ESR1 (0.48) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL7680287 0.75 CA2 (0.39) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL83869 0.74 CA2 (0.65) SKP2CA2CA1ALDH1A1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249047-A drug discovery method using Schwann cells derived from stem cells 纪念斯隆-凯特琳癌症中心 2019-09-17 CN disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US disclosed
US-8349870-B2 Fungicidal hetercyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-18 US disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 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 (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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 SKP2 1611/4885CA2 603/4885CA1 1369/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 SKP2 1268/4885CA2 382/4885CA1 1172/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 SKP2 2890/4885CA2 1241/4885CA1 1436/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 SKP2 2179/4885CA2 1369/4885CA1 1909/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 SKP2 3874/4885CA2 3279/4885CA1 3334/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 SKP2 1611/4885CA2 603/4885CA1 1369/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 SKP2 2777/4885CA2 1143/4885CA1 1162/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 SKP2 1611/4885CA2 603/4885CA1 1369/4885

“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.