Sugi Predict

Sugi Predict / Compounds / SCHEMBL824824

SCHEMBL824824

SCHEMBL824824

O=CCCCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.50
▸ GPR52 Q9Y2T5 1/20 0.46
▸ IDO1 P14902 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PLCG1 P19174 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL11193295 0.94 TAAR1 (0.48) TAAR1GPR52IDO1TSHRHDAC3
SCHEMBL11912455 0.92 TAAR1 (0.47) TAAR1GPR52IDO1TSHRHDAC3
SCHEMBL1613352 0.88 TAAR1 (0.54) TAAR1GPR52IDO1TSHRPLCG1
SCHEMBL31686035 0.80 TAAR1 (0.50) TAAR1GPR52IDO1TSHRHDAC3
SCHEMBL8062751 0.80 TAAR1 (0.50) TAAR1GPR52IDO1TSHRHDAC3
SCHEMBL5599488 0.78 TSHR (0.41) TSHRCYP2D6ALDH1A1HIF1A
SCHEMBL1047186 0.77 TAAR1 (0.56) TAAR1GPR52IDO1TSHRHDAC3
SCHEMBL96466 0.76 TAAR1 (0.52) TAAR1IDO1LMNA
SCHEMBL2181212 0.76 TAAR1 (0.50) TAAR1TSHRALDH1A1
SCHEMBL11193980 0.76 SIGMAR1 (0.39) TSHRNFKB1HSD17B10ALDH1A1NPC1

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
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — US disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — 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-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES AOC2, ALDH2, ALDH3A1 TAAR1 508/4885GPR52 2088/4885IDO1 462/4885

“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.