SCHEMBL6559516

SCHEMBL6559516

CN[C@@H](CC(C)C)C(=O)OO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1B Q00975 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
MAPT P10636 1/20 0.36
MME P08473 1/20 0.35
BIRC2 Q13490 1/20 0.35
POLB P06746 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
FOLH1 Q04609 5/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34

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
SCHEMBL7159426 0.84 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1MMEBIRC2
SCHEMBL14609391 0.84 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1MMEBIRC2
SCHEMBL8297645 0.84 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1MMEBIRC2
Hydrochloric Acid SCHEMBL28418639 0.83 TAS1R3 (0.47) ALDH1A1TAS1R3TAS1R1MMEBIRC2
SCHEMBL28205457 0.83 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2ACACNA1B
Hydrochloric Acid SCHEMBL28418638 0.83 TAS1R3 (0.47) ALDH1A1TAS1R3TAS1R1MMEBIRC2
SCHEMBL7611217 0.81 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2ACACNA1B
SCHEMBL800917 0.81 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2ATAS1R3
SCHEMBL801156 0.81 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2ATAS1R3
SCHEMBL18964024 0.81 PPID (0.46) ALDH1A1MEN1LMNAKMT2ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119236052-A Composition for promoting hair growth and its preparation method 青岛山大齐鲁医院(山东大学齐鲁医院(青岛)) 2025-01-03 CN claimed
CN-119112936-A Hair tonic containing natural fungus extract and its preparation method 青岛山大齐鲁医院(山东大学齐鲁医院(青岛)) 2024-12-13 CN claimed
EP-1233738-A1 USE OF NONIMMUNOSUPPRESSIVE CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2002-08-28 EP claimed
WO-2001035914-A1 USE OF NONIMMUNOSUPPRESSIVE CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2001-05-25 WO claimed
US-20230312646-A1 ANTIBACTERIAL PEPTIDES Universite de Bordeaux (FR) 2023-10-05 US disclosed
US-20140213508-A1 ANTIVIRAL MACROCYCLES SCYNEXIS, INC. (US) 2014-07-31 US disclosed
EP-1392224-A1 THE USE OF NONIMMUNOSUPPRESSIVE EPSILON-HYDROXY-N-METHYL-L-LEUCINE-4 ] CYCLOSPORIN DERIVATIVES FOR TREATING HAIR LOSS LG Household & Health Care Ltd. (KR) 2004-03-03 EP disclosed
WO-2002092033-A1 THE USE OF NONIMMUNOSUPPRESSIVE [$G(G)-HYDROXY-N-METHYL-L-LEUCINE4] CYCLOSPORIN DERIVATIVES FOR TREATING HAIR LOSS LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2002-11-21 WO disclosed
EP-1233738-A1 USE OF NONIMMUNOSUPPRESSIVE CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2002-08-28 EP disclosed
WO-2001035914-A1 USE OF NONIMMUNOSUPPRESSIVE CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2001-05-25 WO disclosed
EP-0778847-A4 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RES FOUND (US) 1998-01-07 EP disclosed
EP-0778847-A1 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-06-18 EP disclosed
WO-1996006857-A1 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-03-07 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 (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-20140213508-A1 ANTIVIRAL MACROCYCLES HAVCR2, ICOS, ZC3HAV1 ALDH1A1 3888/4885MEN1 2673/4885LMNA 3829/4885
US-20230312646-A1 ANTIBACTERIAL PEPTIDES VIP, NRDC, CLPP ALDH1A1 4808/4885MEN1 3240/4885LMNA 4169/4885

“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.