SCHEMBL9945955

SCHEMBL9945955

CC(C)Oc1cc(F)ccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KCNH2 Q12809 5/20 0.36
TMEM97 Q5BJF2 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
ACLY P53396 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
P2RY1 P47900 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RECQL P46063 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
EIF4E P06730 1/20 0.33

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
SCHEMBL24869048 0.86 HTT (0.34) RXRARXRBRXRGKCNH2P2RY1
SCHEMBL9945952 0.84 KCNH2 (0.40) KCNH2TMEM97SIGMAR1ACLYIRAK4
SCHEMBL765434 0.82 GAA (0.43) KCNH2SLC6A4RECQL
SCHEMBL11916155 0.79 HTR1A (0.41) KCNH2TMEM97SIGMAR1ACLYIRAK4
SCHEMBL9908241 0.78 HRH4 (0.45) RXRARXRBRXRGALDH1A1SLC6A4
SCHEMBL12886669 0.78 FFAR1 (0.39) KCNH2TMEM97SIGMAR1ACLYIRAK4
SCHEMBL17861690 0.78 RXRA (0.42) RXRARXRBRXRGALDH1A1
SCHEMBL19308590 0.78 LMNA (0.50) RXRARXRBRXRGALDH1A1
SCHEMBL12868968 0.77 KCNK3 (0.43) KCNH2TMEM97SIGMAR1P2RY1SLC6A4
SCHEMBL18929928 0.77 ALDH1A1 (0.36) P2RY1ALDH1A1HTR2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 RXRA 1479/4885RXRB 921/4885RXRG 845/4885
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 RXRA 2236/4885RXRB 2899/4885RXRG 2319/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT RXRA 3083/4885RXRB 2906/4885RXRG 2485/4885

“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.