SCHEMBL15874004

SCHEMBL15874004

COc1cc(C(C)C)c(N=CC=Nc2c(C(C)C)cc(OC)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ P2RX3 P56373 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ G6PD P11413 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BLM P54132 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
SCHEMBL15883182 1.00 ALDH1A1 (0.39) ALDH1A1CYP1B1CYP1A1P2RX3P2RX2
SCHEMBL17341690 0.93 ALDH1A1 (0.33) ALDH1A1CYP1B1CYP1A1P2RX3P2RX2
SCHEMBL22651550 0.89 ALDH1A1 (0.33) ALDH1A1CYP1B1CYP1A1P2RX3P2RX2
SCHEMBL22708260 0.78 TYR (0.38) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL3433939 0.72 ALDH1A1 (0.48) ALDH1A1CYP1B1CYP1A1CYP2D6ADRA2A
SCHEMBL2735020 0.70 ALDH1A1 (0.46) ALDH1A1CYP1B1CYP1A1P2RX3P2RX2
SCHEMBL5080340 0.70 CA1 (0.58) ALDH1A1CYP1A2CYP3A4BLM
SCHEMBL243957 0.70 GABRA1 (0.46) G6PDKMT2ACYP1A2CYP3A4L3MBTL1
SCHEMBL28450440 0.70 ALDH1A1 (0.46) ALDH1A1CYP1B1CYP1A1P2RX3P2RX2
SCHEMBL243958 0.70 GABRA1 (0.46) G6PDKMT2ACYP1A2CYP3A4L3MBTL1

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
US-11572348-B2 Syntheses of N-heterocyclic carbenes and intermediates therefor UMICORE AG & CO. KG (DE) 2023-02-07 — — US disclosed
US-20210317088-A9 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UMICORE AG & CO. KG (DE) 2021-10-14 — — US disclosed
US-20200354323-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UMICORE AG & CO. KG (DE) 2020-11-12 — — US disclosed
US-10759763-B2 Syntheses of N-heterocyclic carbenes and intermediates therefor UMICORE AG & CO. KG (DE) 2020-09-01 — — US disclosed
EP-2943471-B1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UMICORE AG & CO KG (DE) 2020-03-11 — — EP disclosed
US-20180186754-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UMICORE AG & CO. KG (DE) 2018-07-05 — — US disclosed
US-9890125-B2 Syntheses of N-heterocyclic carbenes and intermediates therefor UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-02-13 — — US disclosed
US-20170152231-A9 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UMICORE AG & CO. KG (DE) 2017-06-01 — — US disclosed
US-20150361049-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UNIV ST ANDREWS (GB) 2015-12-17 — — US disclosed
EP-2943471-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR University Court of The University of St Andrews (GB) 2015-11-18 — — EP disclosed
WO-2014108671-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2014-07-17 — — 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 (7 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-10759763-B2 Syntheses of N-heterocyclic carbenes and intermediates therefor GRHPR, DDC, NDC1 ALDH1A1 726/4885CYP1B1 836/4885CYP1A1 969/4885
US-11572348-B2 Syntheses of N-heterocyclic carbenes and intermediates therefor GRHPR, DDC, NDC1 ALDH1A1 726/4885CYP1B1 836/4885CYP1A1 969/4885
US-20170152231-A9 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR GRHPR, DDC, WEE2 ALDH1A1 748/4885CYP1B1 617/4885CYP1A1 842/4885
US-20180186754-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR GRHPR, DDC, NDC1 ALDH1A1 726/4885CYP1B1 836/4885CYP1A1 969/4885
US-20210317088-A9 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR GRHPR, DDC, NDC1 ALDH1A1 726/4885CYP1B1 836/4885CYP1A1 969/4885
US-20200354323-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR GRHPR, DDC, NDC1 ALDH1A1 726/4885CYP1B1 836/4885CYP1A1 969/4885
US-20150361049-A1 SYNTHESES OF N-HETEROCYCLIC CARBENES AND INTERMEDIATES THEREFOR GRHPR, DDC, WEE2 ALDH1A1 748/4885CYP1B1 617/4885CYP1A1 842/4885

“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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