SCHEMBL19681571

SCHEMBL19681571

COc1ccc(C2CCC(C3CCC3)CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAOB P27338 3/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
DRD2 P14416 1/20 0.37
CYP19A1 P11511 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
PTPN1 P18031 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13023587 0.83 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL6481644 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL937164 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL16546365 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL19677870 0.79 ESR2 (0.42) MAPTCYP3A4
SCHEMBL8291267 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL19681481 0.77 KDM1A (0.42) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL10552239 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL10552244 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL13651792 0.76 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MAOBKDM1A

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-10858591-B2 Stabilizer and liquid crystal composition comprising same SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2020-12-08 US disclosed
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-12-07 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-10858591-B2 Stabilizer and liquid crystal composition comprising same BCL2L2, NCAPD2, ZYX SLC6A2 4390/4885SLC6A4 4787/4885SLC6A3 4770/4885
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME LBR, CTNND1, CRYZ SLC6A2 4467/4885SLC6A4 4723/4885SLC6A3 4569/4885

“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.