SCHEMBL4157086

SCHEMBL4157086

c1ccc(SCC2CCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPT P10636 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TSHR P16473 2/20 0.53
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ DRD4 P21917 2/20 0.48
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL5139048 0.83 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL5143932 0.79 DRD4 (0.47) ALDH1A1HSD17B10HPGDTSHRLMNA
SCHEMBL5513100 0.79 DRD4 (0.47) ALDH1A1HSD17B10HPGDTSHRLMNA
SCHEMBL10856673 0.78 HPGD (0.54) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL27834850 0.77 CYP2C9 (0.50) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL18541672 0.76 MEN1 (0.48) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL4151711 0.76 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL29418063 0.76 DRD4 (0.38) ALDH1A1MAPTNPSR1HSD17B10HPGD
SCHEMBL4758994 0.75 SLC6A2 (0.47) DRD4
SCHEMBL12961753 0.74 HPGD (0.77) ALDH1A1NPSR1HSD17B10HPGDTSHR

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
CN-113754613-B Method for benzene thio cyclic ether of 4-enol 北京工商大学 2023-06-30 — — CN disclosed
CN-113754613-A Method for etherifying thiophenyl ring of 3-enol 北京工商大学 2021-12-07 — — CN disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ALDH1A1 355/4885MAPT 4388/4885NPSR1 2095/4885

“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