SCHEMBL13879294

SCHEMBL13879294

CC(C)CNCCOC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ANPEP P15144 1/20 0.30

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
SCHEMBL23696480 0.87 ALDH1A1 (0.36) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL22047821 0.87 ALDH1A1 (0.36) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL22861717 0.87 ALDH1A1 (0.36) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL22861744 0.87 ALDH1A1 (0.36) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL1967441 0.84 ALDH1A1 (0.38) ALDH1A1EPHX2SMN1; SMN2TSHRL3MBTL1
SCHEMBL18551601 0.83 ALDH1A1 (0.41) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL14296394 0.79 SCN1A (0.42) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL18551477 0.79 ALDH1A1 (0.44) ALDH1A1SCN1ASCN2ASCN3AEPHX2
SCHEMBL25567929 0.78 ALDH1A1 (0.32) ALDH1A1EPHX2SMN1; SMN2TSHRL3MBTL1
SCHEMBL27396262 0.78 ALDH1A1 (0.36) ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230150974-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
EP-3019488-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-11-07 EP disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-20160143870-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-26 US disclosed
US-20160143870-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-26 US disclosed
US-20160143870-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-26 US disclosed
CN-105517999-A Ido inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
US-9095504-B2 RNA interference in ocular indications RXI PHARMACEUTICALS CORPORATION 2015-08-04 US disclosed
WO-2015006520-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
US-20130131142-A1 RNA INTERFERENCE IN OCULAR INDICATIONS PHIO PHARMACEUTICALS CORP. 2013-05-23 US disclosed
US-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2009-04-30 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 (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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 ALDH1A1 1804/4885SCN1A 4841/4885SCN2A 4796/4885
US-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNY ALDH1A1 1765/4885SCN1A 4266/4885SCN2A 4725/4885
US-20160143870-A1 IDO INHIBITORS IDO1, IDO2, TDO2 ALDH1A1 435/4885SCN1A 4012/4885SCN2A 4217/4885
US-20130131142-A1 RNA INTERFERENCE IN OCULAR INDICATIONS RXRA, RXRB, RXRG ALDH1A1 1687/4885SCN1A 2698/4885SCN2A 2446/4885
US-20230150974-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ALDH1A1 2571/4885SCN1A 1240/4885SCN2A 2039/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ALDH1A1 2605/4885SCN1A 926/4885SCN2A 1641/4885

“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.