SCHEMBL20046033

SCHEMBL20046033

CCCCC1(CCCC)c2cc(C)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
PDK2 Q15119 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALK Q9UM73 5/20 0.33
PGR P06401 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20147099 0.94 TSHR (0.38) ALDH1A1CYP2A6PDK2DRD2DRD3
SCHEMBL4502871 0.87 TSHR (0.43) ALDH1A1CYP2A6PDK2DRD2DRD3
SCHEMBL3206468 0.87 TSHR (0.43) ALDH1A1CYP2A6PDK2DRD2DRD3
SCHEMBL20099323 0.86 SMN1; SMN2 (0.40) ALDH1A1CYP2A6PDK2TSHRMEN1
SCHEMBL17511234 0.86 PGR (0.38) CYP2A6PDK2DRD2DRD3TSHR
SCHEMBL18012828 0.86 PDK2 (0.49) PDK2DRD2DRD3TSHRHSD17B10
SCHEMBL17051695 0.81 TSHR (0.44) ALDH1A1CYP2A6PDK2TSHRHSD17B10
SCHEMBL17051985 0.81 TSHR (0.44) ALDH1A1CYP2A6PDK2TSHRHSD17B10
SCHEMBL17051693 0.81 TSHR (0.43) ALDH1A1CYP2A6PDK2TSHRHSD17B10
SCHEMBL28243665 0.81 PDK2 (0.47) ALDH1A1PDK2DRD2DRD3TSHR

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
US-10759802-B2 Compound, preparation method thereof and organic light emitting display device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2020-09-01 US disclosed
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-04-12 US disclosed
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-04-12 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-10759802-B2 Compound, preparation method thereof and organic light emitting display device OCIAD1, OCIAD2, AOX1 ALDH1A1 99/4885CYP2A6 396/4885PDK2 2370/4885
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE OCIAD1, OCIAD2, AOX1 ALDH1A1 99/4885CYP2A6 396/4885PDK2 2370/4885

“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.