SCHEMBL13564005

SCHEMBL13564005

CCCCCc1ccc2oc3c(ccc4c3ccc3c5cc(CCCCC)ccc5oc34)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 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
SCHEMBL13564086 0.98 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19ALOX15ESR1
SCHEMBL16981555 0.95 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19ALOX15ESR1
SCHEMBL16981552 0.95 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19ALOX15ESR1
SCHEMBL13564000 0.95 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL5337478 0.90 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19ALOX15ESR1
SCHEMBL13563986 0.88 CNR1 (0.42) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13563995 0.88 RAB9A (0.45) CYP1A2CYP2D6CYP2C19
SCHEMBL13564080 0.87 PTGS2 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13562051 0.87 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL16806152 0.86 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19ALOX15ESR1

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-8946688-B2 Polycyclic ring-fused compound and organic thin film transistor utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 US disclosed
US-20120273770-A1 POLYCYCLIC RING-FUSED COMPOUND AND ORGANIC THIN FILM TRANSISTOR UTILIZING SAME IDEMITSU KOSAN CO., LTD. 2012-11-01 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-20120273770-A1 POLYCYCLIC RING-FUSED COMPOUND AND ORGANIC THIN FILM TRANSISTOR UTILIZING SAME TCF4, JUN, CTCF CYP1A2 341/4885CYP2D6 1190/4885CYP2C19 237/4885

“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.