SCHEMBL7243783

SCHEMBL7243783

[CH2]COc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ MAPT P10636 5/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GPR3 P46089 1/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PTPN7 P35236 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN12 Q05209 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37

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
SCHEMBL7110841 0.80 SMN1; SMN2 (0.50) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL14164769 0.78 LTA4H (0.49) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL30567107 0.77 ALDH1A1 (0.65) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL15318110 0.77 ALDH1A1 (0.65) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL4484085 0.74 MAPT (0.57) ALDH1A1MAPTRAB9AL3MBTL1TDP1
SCHEMBL16231225 0.72 MAPT (0.49) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL28414066 0.72 MAPT (0.49) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL13338845 0.72 KDM4E (0.55) ALDH1A1MAPTRAB9AL3MBTL1TDP1
SCHEMBL13338844 0.72 KDM4E (0.55) ALDH1A1MAPTRAB9AL3MBTL1TDP1
Dibenzothiophene SCHEMBL28316922 0.72 GPR3 (0.93) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 — — US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 — — 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C ALDH1A1 85/4885MAPT 4340/4885RAB9A 2590/4885

“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.

Send feedback