SCHEMBL20077216

SCHEMBL20077216

CCC1=C(C(C)C)[C@@]2(C)CCC[C@](C)(C(=O)O)C2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.52
▸ RXRA P19793 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ RXRB P28702 1/20 0.52
▸ RXRG P48443 1/20 0.52
▸ NR1I2 O75469 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ POLA1 P09884 4/20 0.47
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41

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
SCHEMBL15603520 0.83 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15603503 0.83 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15603521 0.83 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20077284 0.75 POLA1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL13111981 0.73 NR1I2 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15603506 0.71 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15604548 0.71 POLA1 (0.51) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15604551 0.71 POLA1 (0.51) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15604565 0.71 POLA1 (0.51) KARS1RXRACCNE1CDK2RXRB
SCHEMBL151743 0.70 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB

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-10000438-B2 Small molecule inhibitors of TRPA1 B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2018-06-19 — — US disclosed
US-20180105482-A9 SMALL MOLECULE INHIBITORS OF TRPA1 B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2018-04-19 — — 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-10000438-B2 Small molecule inhibitors of TRPA1 TRPA1, TRPV1, TRPV2 KARS1 3860/4885RXRA 2796/4885CCNE1 4567/4885
US-20180105482-A9 SMALL MOLECULE INHIBITORS OF TRPA1 TRPA1, TRPV1, TRPV2 KARS1 3860/4885RXRA 2796/4885CCNE1 4567/4885

“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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