SCHEMBL19998063

SCHEMBL19998063

Cc1ccc(Cc2ccc(OCOc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
WDR5 P61964 1/20 0.44
LTA4H P09960 3/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13155582 0.90 LTA4H (0.44) KCNH2MAOBPARP10DRD2DRD4
SCHEMBL1688857 0.88 ACHE (0.52) KCNH2DRD2DRD4DRD3WDR5
Hydrochloric Acid SCHEMBL10552585 0.85 DRD2 (0.50) KCNH2MAOBDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10552592 0.85 DRD2 (0.50) KCNH2MAOBDRD2DRD4DRD3
SCHEMBL14204847 0.84 SMN1; SMN2 (0.46) KCNH2MAOBPARP10DRD2DRD4
SCHEMBL13400766 0.84 NQO1 (0.61) MAOBLTA4HSMN1; SMN2ALDH1A1MAPT
SCHEMBL19798031 0.81 DRD2 (0.47) KCNH2DRD2DRD4DRD3WDR5
SCHEMBL19360417 0.81 TEAD4 (0.56) LTA4HSMN1; SMN2ACHEALDH1A1MAPT
SCHEMBL10013919 0.81 TEAD4 (0.56) LTA4HSMN1; SMN2ACHEALDH1A1MAPT
SCHEMBL19360443 0.81 TEAD4 (0.56) LTA4HSMN1; SMN2ACHEALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086981-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE INCLUDING THE SAME TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-03-29 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-20180086981-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE INCLUDING THE SAME CNOT1, CXCR1, CCRL2 KCNH2 913/4885MAOB 2453/4885PARP10 2626/4885

“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.