SCHEMBL19681564

SCHEMBL19681564

COc1ccc(C2CCC(C3CCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
NPBWR1 P48145 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
SCHEMBL11097112 0.98 ALDH1A1 (0.50) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL11097109 0.98 ALDH1A1 (0.50) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL2095118 0.88 ALDH1A1 (0.56) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL1515026 0.88 DRD2 (0.59) DRD2ALDH1A1SMN1; SMN2MAPTKDM1A
SCHEMBL12990367 0.87 ESR2 (0.53) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL1990897 0.86 ALDH1A1 (0.59) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL1992931 0.86 ALDH1A1 (0.59) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL30688051 0.86 ALDH1A1 (0.59) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL30688049 0.86 ALDH1A1 (0.59) DRD2THRBALDH1A1SMN1; SMN2MAPT
SCHEMBL20003493 0.85 DRD2 (0.47) DRD2THRBALDH1A1SMN1; SMN2MAPT

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 DRD2 1301/4885THRB 4386/4885ALDH1A1 3778/4885
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME LBR, CTNND1, CRYZ DRD2 772/4885THRB 4838/4885ALDH1A1 2102/4885

“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.