SCHEMBL23627166

SCHEMBL23627166

CCC(C)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.37
PDE2A O00408 3/20 0.36
TACR1 P25103 1/20 0.34
SLC13A3 Q8WWT9 1/20 0.33
S1PR1 P21453 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DDR1 Q08345 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AHR P35869 1/20 0.33
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32
RAET1L Q5VY80 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL16770635 1.00 RAPGEF4 (0.37) RAPGEF4PDE2ATACR1SLC13A3S1PR1
SCHEMBL9886102 0.87 TACR1 (0.41) PDE2ATACR1S1PR1AKR1C3AKR1C2
SCHEMBL22222396 0.87 TACR1 (0.41) PDE2ATACR1S1PR1AKR1C3AKR1C2
SCHEMBL23717170 0.87 TACR1 (0.41) PDE2ATACR1S1PR1AKR1C3AKR1C2
SCHEMBL13466014 0.84 RORC (0.35)
SCHEMBL18713699 0.84 RAPGEF4 (0.41) RAPGEF4PDE2ASLC13A3AKR1B10AKR1C4
SCHEMBL9967739 0.81 RAPGEF4 (0.41) RAPGEF4PDE2ATACR1SLC13A3S1PR1
SCHEMBL10289777 0.80 TSHR (0.40) GRNSORT1
SCHEMBL9178609 0.80 ALDH1A1 (0.39)
SCHEMBL7644300 0.80 TSHR (0.40) GRNSORT1

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
WO-2024145369-A1 COMPOUNDS FOR TREATMENT OF HAIR LOSS PELAGE PHARMACEUTICALS, INC. (US) 2024-07-04 WO disclosed
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885PDE2A 3073/4885TACR1 520/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 RAPGEF4 323/4885PDE2A 4199/4885TACR1 4276/4885

“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.