SCHEMBL17286567

SCHEMBL17286567

CC(C)CCCOc1cccc2[nH]ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.66
HTR1A P08908 11/20 0.61
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL6239353 0.84 HTR1A (0.70) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL6239357 0.84 HTR1A (0.70) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL3798923 0.83 HTR1B (0.62) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL1545429 0.81 HTR1B (0.60) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL3799623 0.81 HTR1B (0.64) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL14893147 0.80 HTR1B (0.59) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL10591827 0.80 HTR1B (0.58) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL11543577 0.80 HTR1B (0.58) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL7876385 0.80 HTR1B (0.58) HTR1BHTR1AMEN1MAPK1KMT2A
SCHEMBL1128015 0.79 HTR1B (0.58) HTR1BHTR1AMEN1MAPK1KMT2A

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-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 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 (2 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-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR1B 1696/4885HTR1A 1279/4885MEN1 2627/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 HTR1B 1696/4885HTR1A 1279/4885MEN1 2627/4885

“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.