SCHEMBL19765240

SCHEMBL19765240

CC#CC(C)(O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.43
▸ AKR1C3 P42330 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10386424 0.83 AKR1C3 (0.45) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL17974916 0.82 MAOB (0.41) MAOBAKR1C3CYP2C9PTGS1CETP
SCHEMBL548030 0.80 CETP (0.51) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL10271603 0.79 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTKMT2AHDAC8
SCHEMBL13310389 0.76 LTA4H (0.50) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL5671239 0.76 CYP2C9 (0.54) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL17974811 0.75 ACHE (0.44) CYP2C9ALDH1A1
SCHEMBL9347984 0.74 MAOB (0.48) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL7319456 0.74 AKR1C3 (0.50) MAOBAKR1C3NPC1POLBCYP2C9
SCHEMBL548657 0.74 NR1H2 (0.49) MAOBAKR1C3NPC1POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — 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 (1 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-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B MAOB 3339/4885AKR1C3 1781/4885NPC1 1038/4885

“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.

Send feedback