SCHEMBL3570361

SCHEMBL3570361

O=C(O)N[C@H](CO)CCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
PKM P14618 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
Acetic Acid SCHEMBL11645576 0.86 MTNR1A (0.54) TDP1ALDH1A1RECQLMTNR1AMTNR1B
SCHEMBL19357562 0.83 MTNR1A (0.53) ALDH1A1RECQLMTNR1AMTNR1BPPARG
Propionic Acid SCHEMBL11646603 0.83 RECQL (0.52) TDP1RECQLMTNR1AMTNR1BRAB9A
SCHEMBL6819990 0.82 ATM (0.49) MTNR1AMTNR1BPPARGPPARA
SCHEMBL6819985 0.82 ATM (0.49) MTNR1AMTNR1BPPARGPPARA
SCHEMBL11650798 0.80 HTR1B (0.50) TDP1ALDH1A1RECQLMTNR1AMTNR1B
Butyric Acid SCHEMBL11653019 0.80 GPR88 (0.45) TDP1ALDH1A1RECQLHPGDSMN1; SMN2
SCHEMBL11654648 0.79 ALDH1A1 (0.46) TDP1ALDH1A1RECQLMTNR1AMTNR1B
SCHEMBL3354066 0.78 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4CYP2C19TSHR
Fumaric Acid SCHEMBL11646378 0.78 MTNR1A (0.43) TDP1ALDH1A1RECQLMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A TDP1 2377/4885ALDH1A1 126/4885RECQL 3389/4885

“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.