SCHEMBL8512866

SCHEMBL8512866

CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccc(OCCO)cc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAPT P10636 8/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PRKDC P78527 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
ESR1 P03372 1/20 0.32
PDK2 Q15119 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15953434 0.93 ALDH1A1 (0.34) PLA2G4AMRGPRX4MAPTALDH1A1KDM4E
SCHEMBL25716067 0.89 PDK2 (0.34) MAPTALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL13988294 0.89 MAPT (0.34) PLA2G4AMRGPRX4MAPTALDH1A1KDM4E
SCHEMBL29514499 0.89 RAB9A (0.36) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3137330 0.89 RAB9A (0.36) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL21637001 0.89 HRH3 (0.32) MRGPRX4MAPTALDH1A1KDM4EPRKDC
SCHEMBL13988190 0.89 ALK (0.33) ALDH1A1PDK2
SCHEMBL9250394 0.89 MAPT (0.34) PLA2G4AMRGPRX4MAPTALDH1A1KDM4E
SCHEMBL9247796 0.89 PLA2G4A (0.34) PLA2G4AMRGPRX4MAPTALDH1A1KDM4E
SCHEMBL9251074 0.89 PLA2G4A (0.34) PLA2G4AMRGPRX4MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 US disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 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-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 PLA2G4A 2557/4885MRGPRX4 4425/4885MAPT 283/4885

“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.