SCHEMBL17680908

SCHEMBL17680908

Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
FAAH O00519 1/20 0.35
UCHL1 P09936 1/20 0.33
MAOA P21397 1/20 0.33
CYP2D6 P10635 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KLKB1 P03952 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ROCK2 O75116 2/20 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
SCHEMBL21236359 0.81 UCHL1 (0.35) UCHL1IRAK4
SCHEMBL23931270 0.77 UCHL1 (0.34) LPLLIPGUCHL1IRAK4
SCHEMBL1758417 0.74 MAPK1 (0.44) KDM4EMEN1KMT2ALPLLIPG
SCHEMBL17680907 0.73 CREBBP (0.38) CREBBPKDM4EMEN1LMNACASP1
SCHEMBL16376954 0.73 MEN1 (0.46) CREBBPKDM4EMEN1LMNACASP1
SCHEMBL14858191 0.72 UCHL1 (0.49) KDM4ELMNAHSD17B10LPLLIPG
SCHEMBL1104989 0.71 LPL (0.36) LPLLIPGUCHL1IRAK4
SCHEMBL15653179 0.71 FFAR1 (0.44) CREBBPLPLLIPGCYP2D6IRAK4
SCHEMBL30201150 0.70 UCHL1 (0.41) UCHL1
SCHEMBL627234 0.70 UCHL1 (0.37) LPLLIPGUCHL1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 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 (2 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 CREBBP 2/4885KDM4E 387/4885MEN1 1807/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CREBBP 2/4885KDM4E 387/4885MEN1 1807/4885

“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.