SCHEMBL4101049

SCHEMBL4101049

Cc1cc(C(C)(C)C)cc(C)c1NC(=NC(C)(C)C)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 2/20 0.33
LCK P06239 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RXRB P28702 1/20 0.30

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
SCHEMBL4101047 1.00 HPGD (0.40) HPGDTSHRRAB9APOLBHTR1D
SCHEMBL4099866 0.81 POLB (0.44) POLBLCK
SCHEMBL4099870 0.81 POLB (0.44) POLBLCK
SCHEMBL4100298 0.80 POLB (0.42) HPGDRAB9APOLB
SCHEMBL4113249 0.75 KIF11 (0.47) RAB9A
SCHEMBL4113245 0.75 KIF11 (0.47) RAB9A
SCHEMBL4100588 0.72 KDM4E (0.42) HPGDPOLBLCKKDM4E
SCHEMBL4100586 0.72 KDM4E (0.42) HPGDPOLBLCKKDM4E
SCHEMBL6183450 0.72 POLB (0.38) HPGDTSHRRAB9APOLBHTR1D
SCHEMBL4100972 0.69 POLB (0.47) RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA HPGD 608/4885TSHR 1694/4885RAB9A 2870/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 HPGD 1282/4885TSHR 3766/4885RAB9A 1539/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HPGD 885/4885TSHR 3770/4885RAB9A 2224/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT HPGD 539/4885TSHR 1691/4885RAB9A 1450/4885

“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.