SCHEMBL18928638

SCHEMBL18928638

CCC(C)c1ccc(Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 3/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP3A4 P08684 1/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL23084281 0.85 LMNA (0.40) HTTLMNATP53TSHRHTR2A
SCHEMBL12074170 0.84 CYP3A4 (0.42) HTTLMNATP53TSHRHTR2A
SCHEMBL16770543 0.82 TP53 (0.59) HTTLMNATP53TSHRRORC
SCHEMBL17069212 0.82 TP53 (0.59) HTTLMNATP53TSHRRORC
SCHEMBL18593511 0.82 KCNH2 (0.41) HTTLMNATP53TSHRHTR2A
SCHEMBL2632875 0.82 TP53 (0.59) HTTLMNATP53TSHRRORC
SCHEMBL28263806 0.79 TSHR (0.42) LMNATP53TSHRHTR2BRORC
SCHEMBL18647490 0.79 MAPT (0.40) HTTLMNATP53MAPTGAA
SCHEMBL1911434 0.79 LMNA (0.48) HTTLMNATP53TSHRHTR2A
SCHEMBL19121860 0.78 LMNA (0.41) HTTLMNATP53TSHRRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 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-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R HTT 836/4885LMNA 4172/4885TP53 4485/4885

“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.