SCHEMBL27202087

SCHEMBL27202087

Cc1ccc(C(=O)O)c(N2CCNCC2)c1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR6 P50406 1/20 0.51
SIGMAR1 Q99720 2/20 0.44
ADRB1 P08588 3/20 0.42
TTR P02766 3/20 0.39
AKR1C3 P42330 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ABCC1 P33527 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL27202066 0.90 ALDH1A1 (0.51) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27202055 0.87 HTR6 (0.50) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27261095 0.87 ADRB1 (0.42) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27202084 0.82 ALDH1A1 (0.49) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL5745223 0.79 ADRB1 (0.49) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL4359282 0.79 ADRB1 (0.42) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27207483 0.78 CYP3A4 (0.46) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27202089 0.78 ALDH1A1 (0.50) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL27862034 0.78 TTR (0.41) ALDH1A1HSD17B10TTRKDM4EHPGD
SCHEMBL27844239 0.75 POLB (0.41) ALDH1A1TSHRHSD17B10TTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF ALDH1A1 446/4885USP2 3092/4885TSHR 3360/4885

“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.