SCHEMBL11064693

SCHEMBL11064693

c1ccc2c(c1)Cc1cncc3cccc-2c13

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 6/20 0.41
TSHR P16473 5/20 0.41
MAPK1 P28482 4/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C19 P33261 3/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40

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
SCHEMBL13959699 0.89 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL29573523 0.81 TSHR (0.62) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3766146 0.81 TSHR (0.62) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7891792 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL13959697 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL17595662 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
Pyrene SCHEMBL2125072 0.74 TSHR (0.65) ALDH1A1KDM4EHPGDHSD17B10TSHR
Fluorene SCHEMBL28767808 0.74 TNF (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL13959695 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
Fluorene SCHEMBL28443999 0.73 MAOA (0.59) ALDH1A1KDM4EHPGDHSD17B10TSHR

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-20170077416-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY SAMSUNG SDI CO., LTD. (KR) 2017-03-16 US disclosed
EP-0042659-B1 5,6,6A,7-TETRAHYDRO-4H-DIBENZ(DE,G)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-08-29 EP disclosed
US-4425350-A 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)-isoquinoline derivatives, and their use for treating central nervous system disorders WARNER-LAMBERT COMPANY (US) 1984-01-10 US disclosed
EP-0042659-A1 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1981-12-30 EP 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-20170077416-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY OR10J3, OR51E2, ODC1 ALDH1A1 28/4885KDM4E 2866/4885HPGD 4009/4885

“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.