SCHEMBL21138699

SCHEMBL21138699

CC[C@@H](C)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CYP3A4 P08684 2/20 0.41
MC4R P32245 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL778759 1.00 TSHR (0.59) TSHRCYP3A4MC4RGABRA1GABRB2
SCHEMBL20807370 1.00 TSHR (0.59) TSHRCYP3A4MC4RGABRA1GABRB2
SCHEMBL11996559 0.84 TSHR (0.52) TSHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL994607 0.83 TSHR (0.73) TSHRGABRA1GABRB2L3MBTL1KDM4E
SCHEMBL18533077 0.83 TSHR (0.50) TSHRCYP3A4GABRA1L3MBTL1KDM4E
SCHEMBL21259631 0.83 TSHR (0.50) TSHRCYP3A4GABRA1L3MBTL1KDM4E
SCHEMBL780254 0.83 TSHR (0.41) TSHRCYP3A4MC4RL3MBTL1IDO1
SCHEMBL18488721 0.82 CYP3A4 (0.41) TSHRCYP3A4MC4RIDO1TDO2
SCHEMBL19388419 0.81 TSHR (0.48) TSHRCYP3A4GABRA1GABRB2L3MBTL1
SCHEMBL21259868 0.81 TSHR (0.48) TSHRCYP3A4GABRA1GABRB2L3MBTL1

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
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20190194182-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2019-06-27 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 (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-20190194182-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L TSHR 3630/4885CYP3A4 4740/4885MC4R 4811/4885

“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.