SCHEMBL1744955

SCHEMBL1744955

COc1ccc2cc([C@H](C)N)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.66
AKR1C3 P42330 6/20 0.59
AKR1C2 P52895 6/20 0.59
PTGS2 P35354 3/20 0.59
PTGS1 P23219 3/20 0.59
TSHR P16473 2/20 0.59
CYP1A2 P05177 2/20 0.59
CDC42 P60953 1/20 0.59
RAC1 P63000 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX5 P09917 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2A6 P11509 1/20 0.52
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL29793685 1.00 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1746118 1.00 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Hydrochloric Acid SCHEMBL9443910 0.98 ABCB11 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1746120 0.84 PTGS2 (0.56) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29365195 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL20398797 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL487168 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30640494 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11743260 0.82 ABCB11 (0.58) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15701616 0.82 ABCB11 (0.62) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354727-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2020-10-07 EP claimed
EP-3354727-A1 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2018-08-01 EP claimed
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed
EP-2385983-A2 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2011-11-16 EP claimed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 US claimed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 US claimed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 WO claimed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 US disclosed
US-12448611-B2 Transaminase polypeptides CODEXIS, INC. (US) 2025-10-21 US disclosed
US-20240150732-A1 TRANSAMINASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2024-05-09 US disclosed
US-11939602-B2 Transaminase polypeptides INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2024-03-26 US disclosed
US-20230120624-A1 TRANSAMINASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-04-20 US disclosed
US-11542485-B2 Transaminase polypeptides CODEXIS, INC. (US) 2023-01-03 US disclosed
EP-2385983-A2 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2011-11-16 EP disclosed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 US disclosed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 US disclosed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 US disclosed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 US disclosed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 WO disclosed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 WO 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-20260028600-A1 TRANSAMINASE POLYPEPTIDES GOT1, OAT, PEPD ABCB11 1272/4885AKR1C3 1409/4885AKR1C2 1160/4885

“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.