SCHEMBL9404992

SCHEMBL9404992

CC(C)(C)C(=O)Oc1ccc(CCN)cc1OC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
GLA P06280 1/20 0.47
ADRB2 P07550 2/20 0.47
MEN1 O00255 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 1/20 0.46
ELANE P08246 6/20 0.46
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43

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
Hydrochloric Acid SCHEMBL9404892 0.98 LMNA (0.50) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL9751110 0.83 TRPV1 (0.48) LMNACYP3A4ALDH1A1HIF1AADRB2
SCHEMBL10483834 0.82 KDM4E (0.56) KDM4EATMTSHRTAAR1MAPK1
Oleyl Alcohol SCHEMBL9589663 0.81 LTA4H (0.45) CYP3A4CYP1A2MEN1KMT2AELANE
Oleyl Alcohol SCHEMBL9589660 0.81 LTA4H (0.45) CYP3A4CYP1A2MEN1KMT2AELANE
Hydrochloric Acid SCHEMBL16115113 0.81 KDM4E (0.54) KDM4EATMTSHRTAAR1MAPK1
Hydrochloric Acid SCHEMBL9586452 0.80 ALOX15 (0.42) LMNACYP3A4ALDH1A1HIF1ACYP1A2
SCHEMBL21510393 0.80 KDM4E (0.52) KDM4ELMNACYP3A4ALDH1A1HIF1A
SCHEMBL21510386 0.80 ADRB2 (0.49) LMNACYP3A4ALDH1A1HIF1AADRB2
SCHEMBL9404939 0.80 ADRB2 (0.49) KDM4ELMNACYP3A4ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 US disclosed
WO-2019204808-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2019-10-24 WO disclosed
EP-0431942-B1 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO (JP) 1994-03-23 EP disclosed
US-5296483-A Antidepressant UNIVERSITY OF FLORIDA (US) 1994-03-22 US disclosed
US-5246949-A And lactic acid esters, treatment of hypotension and cardiac circulatory insufficiency SANSHO CO., LTD. (JP) 1993-09-21 US disclosed
US-5082853-A Drug delivery BODOR NICHOLAS S (US) 1992-01-21 US disclosed
EP-0431942-A2 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO., LTD. (JP) 1991-06-12 EP disclosed
US-4933438-A Brain-specific analogues of centrally acting amines UNIVERSITY OF FLORIDA (US) 1990-06-12 US disclosed
EP-0174342-B1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1989-12-20 EP disclosed
US-4771059-A CENTRAL NERVOUS SYSTEM UNIVERSITY OF FLORIDA (US) 1988-09-13 US disclosed
EP-0174342-A1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES. UNIV FLORIDA (US) 1986-03-19 EP disclosed
WO-1985003937-A1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1985-09-12 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-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER AADAC, ACAT2, AANAT KDM4E 1085/4885ATM 1482/4885TSHR 3836/4885

“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.