SCHEMBL17806499

SCHEMBL17806499

CC(C)(C)c1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.58
▸ RXRB P28702 4/20 0.58
▸ KIF11 P52732 2/20 0.56
▸ RXRG P48443 2/20 0.46
▸ MAOB P27338 1/20 0.44
▸ SERPINE1 P05121 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ PTPN5 P54829 2/20 0.43
▸ CYP26A1 O43174 1/20 0.43
▸ CYP26B1 Q9NR63 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ F9 P00740 1/20 0.40
▸ PDK2 Q15119 1/20 0.40

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
SCHEMBL2608414 0.87 PRKCI (0.53) RXRARXRBKIF11SERPINE1PRKCI
SCHEMBL27659191 0.82 KIF11 (0.76) RXRARXRBKIF11RXRGPTPN5
SCHEMBL13761767 0.82 PRKCI (0.56) RXRARXRBKIF11PRKCIPTPN5
SCHEMBL27174499 0.82 MAOB (0.64) RXRARXRBKIF11RXRGMAOB
SCHEMBL30696290 0.82 MAOB (0.64) RXRARXRBKIF11RXRGMAOB
SCHEMBL17105790 0.81 KIF11 (0.68) RXRARXRBKIF11SERPINE1PTPN5
SCHEMBL821120 0.81 EPHX2 (0.56) RXRARXRBKIF11RXRGMKNK1
SCHEMBL5547288 0.80 KIF11 (0.72) RXRARXRBKIF11PTPN5CYP26A1
SCHEMBL30023786 0.80 KIF11 (0.72) RXRARXRBKIF11PTPN5CYP26A1
SCHEMBL1513832 0.79 RXRA (0.64) RXRARXRBKIF11HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 RXRA 623/4885RXRB 396/4885KIF11 3287/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 RXRA 623/4885RXRB 396/4885KIF11 3287/4885

“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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