SCHEMBL12040475

SCHEMBL12040475

CC(C)=C1C2CCC1C(C(=O)Nc1ccc(C)cc1)C2C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ GAA P10253 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ FPR2 P25090 3/20 0.51
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL726802 0.88 FPR2 (0.59) TSHRGAATAAR1KMT2AFPR2
SCHEMBL12040476 0.79 FPR2 (0.80) TSHRALDH1A1KMT2AMEN1FPR2
SCHEMBL12137896 0.74 KMT2A (0.57) ALDH1A1KMT2AMEN1FPR2PKM
SCHEMBL12799502 0.74 KMT2A (0.57) ALDH1A1KMT2AMEN1FPR2PKM
SCHEMBL727270 0.73 FPR2 (0.78) ALDH1A1KMT2AMEN1FPR2PKM
SCHEMBL15702626 0.72 POLB (0.78) TSHRGAAALDH1A1KMT2AMEN1
SCHEMBL728519 0.72 FPR2 (0.76) ALDH1A1KMT2AMEN1FPR2
SCHEMBL22622459 0.72 KMT2A (0.46) TSHRALDH1A1KMT2AMEN1FPR2
SCHEMBL7865123 0.70 NAMPT (0.72) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL12040473 0.69 FPR2 (0.76) ALDH1A1KMT2AMEN1FPR2PKM

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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 — — US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 — — 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 TSHR 886/4885GAA 4626/4885TAAR1 318/4885

“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.

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