SCHEMBL5082397

SCHEMBL5082397

CCCCn1ccnc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
TLR8 Q9NR97 2/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ARG1 P05089 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
HTT P42858 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL10448571 0.95 TLR8 (0.56) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28285357 0.93 TLR8 (0.54) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28441745 0.93 TLR8 (0.54) ALDH1A1POLBKMT2ATLR8CYP1A2
Methane SCHEMBL28285372 0.93 TLR8 (0.54) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28285396 0.89 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28419650 0.83 ARG1 (0.44) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28413273 0.82 SMN1; SMN2 (0.40) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL23497934 0.82 ALDH1A1 (0.51) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL28706114 0.82 ALDH1A1 (0.39) ALDH1A1POLBKMT2ATLR8CYP1A2
SCHEMBL300078 0.82 SMN1; SMN2 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2ARG1

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
CN-118165639-B Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-09-03 CN disclosed
CN-118165639-A Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-06-11 CN disclosed
EP-3551632-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
WO-2018108910-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
US-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes DEGUSSA GMBH (DE) 2008-02-28 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-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes HACL2, PCCA, ECI1 ALDH1A1 100/4885POLB 444/4885KMT2A 3477/4885

“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.