SCHEMBL3236755

SCHEMBL3236755

COC(=O)c1cccc(OCCC=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CYSLTR1 Q9Y271 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47

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
SCHEMBL385706 0.83 RAB9A (0.59) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL2340354 0.83 KMT2A (0.71) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL6283857 0.83 CYP4F2 (0.58) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4577517 0.82 KDM4E (0.53) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL8002994 0.82 MRGPRX4 (0.57) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL31536904 0.82 SMPD1 (0.63) RAB9AMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL6811204 0.82 SMPD1 (0.63) RAB9AMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL1606555 0.82 MAPT (0.54) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL72899 0.82 MRGPRX4 (0.57) RAB9AMAPTMRGPRX4ALDH1A1CYP1A2
SCHEMBL2556477 0.82 PARP1 (0.54) KMT2A

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
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 — — WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 — — US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 — — US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 — — WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 — — 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 RAB9A 478/4885MAPT 5/4885MRGPRX4 2498/4885

“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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