SCHEMBL822556

SCHEMBL822556

Cn1ccc2ccc3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRNP P04156 1/20 0.44
HPRT1 P00492 1/20 0.42
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL29959144 1.00 HTR2A (0.50) HTR2AHTR2CALDH1A1CYP2A6TSHR
SCHEMBL12278805 0.79 CDK4 (0.38) CYP2A6CDK4CCND1CCNE2CCNE1
SCHEMBL13561989 0.77 ALDH1A1 (0.41) HTR2AHTR2CALDH1A1CYP2A6HSD17B10
SCHEMBL29705981 0.74 GAA (0.47) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL123411 0.74 GAA (0.47) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL18873074 0.74 ALDH1A1 (0.48) HTR2AHTR2CALDH1A1CYP2A6TSHR
SCHEMBL15723623 0.74 HTR2A (0.68) HTR2AHTR2CALDH1A1CYP2A6TSHR
SCHEMBL29763644 0.74 HTR2A (0.63) HTR2AHTR2CALDH1A1CYP2A6TSHR
SCHEMBL12258291 0.73 HPRT1 (0.52) HTR2AHTR2CALDH1A1CYP2A6TSHR
SCHEMBL822778 0.72 ALDH1A1 (0.52) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158639-A1 PROCESS FOR PREPARING INDOCYANINE GREEN ICROM SRL (IT) 2024-05-16 US disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US disclosed
EP-1358156-B1 BENZ(G) INDOLES AND THEIR USE AS SPLA2 INHIBITORS LILLY CO ELI (US) 2007-02-21 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 (4 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 HTR2A 2253/4885HTR2C 938/4885ALDH1A1 1002/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20240158639-A1 PROCESS FOR PREPARING INDOCYANINE GREEN INTS9, CA9, SCN9A HTR2A 2214/4885HTR2C 1855/4885ALDH1A1 385/4885

“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.