SCHEMBL714591

SCHEMBL714591

CC(N=C=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL29450615 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1330646 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29648886 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29450632 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL547207 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532913 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532922 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL331134 0.82 MIF (0.39) ALDH1A1CYP1A2LMNA
SCHEMBL8850662 0.82 AKR1B1 (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3886974 0.82 MIF (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US claimed
US-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US claimed
EP-4114877-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES Momentive Performance Materials Inc. (US) 2023-01-11 EP claimed
EP-4114566-A1 CATALYST COMPOSITION FOR POLYURETHANES Momentive Performance Materials Inc. (US) 2023-01-11 EP claimed
US-20210332211-A1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2021-10-28 US claimed
EP-3612581-B1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MAT GMBH (DE) 2020-12-23 EP claimed
EP-3612581-A1 CATALYSTS FOR PRODUCING POLYURETHANES Momentive Performance Materials GmbH (DE) 2020-02-26 EP claimed
WO-2020011343-A1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2020-01-16 WO claimed
EP-2170805-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF Amgen Inc. (US) 2010-04-07 EP claimed
US-20040167249-A1 Phase change inks with isocyanate-derived antioxidants and UV stabilizers XEROX CORPORATION 2004-08-26 US claimed
US-6764541-B1 Colorant compositions XEROX CORPORATION 2004-07-20 US claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed
EP-0566567-B1 ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PROD (US) 1997-11-19 EP claimed
EP-0566567-A1 ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-27 EP claimed
EP-0314446-B1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-15 EP claimed
WO-1992012153-A1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-23 WO claimed
EP-0314446-A2 Novel antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-03 EP claimed
US-4463176-A REGENERATION OF SEPARATED CHIRAL ISOCYANATE-TREATED ADRENERGIC BLOCKING AGENTS USING HYDRAZINE HYDRATE AND A KETO ACID MEAD JOHNSON & COMPANY (US) 1984-07-31 US claimed

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-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 ALDH1A1 2659/4885CYP1A2 209/4885CYP2C9 108/4885

“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.