SCHEMBL21579883

SCHEMBL21579883

CC(C)C(Cc1c[nH]c2ccccc12)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.70
HTR1D P28221 2/20 0.70
HTR1B P28222 2/20 0.70
HTR2C P28335 2/20 0.70
HTR7 P34969 2/20 0.70
HTR6 P50406 2/20 0.70
ADRB1 P08588 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
SLC6A2 P23975 1/20 0.70
HTR1E P28566 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR2B P41595 1/20 0.70
SLC6A3 Q01959 1/20 0.70
MAPT P10636 3/20 0.62
KDM4E B2RXH2 3/20 0.62
POLB P06746 2/20 0.62
APAF1 O14727 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL14513899 0.86 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL827572 0.85 HTR2A (0.74) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL28154603 0.84 HTR2A (0.72) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL28154602 0.84 HTR2A (0.72) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL14828735 0.83 HTR2A (0.66) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL17407615 0.83 HTR2A (0.76) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL13003112 0.83 HTR2A (0.66) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL707958 0.82 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL599674 0.82 HTR2A (1.00) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL5692300 0.82 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7

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-11123304-B2 Nanoparticles having poly(ester amide) polymer cores as drug delivery vehicles THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-09-21 US disclosed
US-20190350870-A1 Particles as Delivery Systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 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-11123304-B2 Nanoparticles having poly(ester amide) polymer cores as drug delivery vehicles ASGR1, F12, MSR1 HTR2A 2589/4885HTR1D 3933/4885HTR1B 2975/4885
US-20190350870-A1 Particles as Delivery Systems MTREX, APOB, HDLBP HTR2A 2509/4885HTR1D 4496/4885HTR1B 3366/4885

“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.