SCHEMBL29819005

SCHEMBL29819005

CC(C)CCOc1cccc(OCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
GALR3 O60755 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NR1H4 Q96RI1 1/20 0.46
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PDK2 Q15119 1/20 0.42
EPHX2 P34913 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL2208810 1.00 TDP1 (0.53) TDP1TAAR1GALR3HSP90AA1NR1H4
1,3-Diisopentoxybenzene SCHEMBL2846359 0.91 TDP1 (0.57) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL18293491 0.86 TAAR1 (0.48) TDP1TAAR1GALR3HSP90AA1LTA4H
SCHEMBL9107098 0.84 TAAR1 (0.70) TAAR1LTA4HPLA2G2AMAPK1
1-Isopentyloxy-3-Ethoxybenzene SCHEMBL2840066 0.84 MAPK1 (0.53) TDP1GALR3HSP90AA1NR1H4MAPK1
1-Isopentyloxy-3-Methoxybenzene SCHEMBL791293 0.84 NPSR1 (0.58) TDP1GALR3HSP90AA1MAPK1MEN1
3-Propoxy-1-Isopentoxybenzene SCHEMBL2839921 0.84 KMT2A (0.51) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL28032739 0.83 TAAR1 (0.58) TDP1TAAR1GALR3HSP90AA1NR1H4
SCHEMBL26850251 0.83 TAAR1 (0.50) TDP1TAAR1LTA4HPLA2G2AMAPK1
SCHEMBL19553486 0.83 TDP1 (0.50) TDP1TAAR1GALR3HSP90AA1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 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 (2 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TDP1 499/4885TAAR1 1482/4885GALR3 100/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TDP1 499/4885TAAR1 1482/4885GALR3 100/4885

“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.