SCHEMBL4108404

SCHEMBL4108404

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=N)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.38
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
PTGS1 P23219 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL27917710 0.84 LMNA (0.43) LMNAKMT2ABCL2MCL1PTGS1
SCHEMBL8408960 0.84 ALDH1A1 (0.47) ALDH1A1ALOX12HPGDHTTLMNA
SCHEMBL27926 0.84 ALDH1A1 (0.47) ALDH1A1ALOX12HPGDHTTLMNA
Water SCHEMBL2581834 0.83 ALDH1A1 (0.46) ALDH1A1ALOX12HPGDHTTLMNA
Thiourea SCHEMBL18454051 0.81 ALDH1A1 (0.44) ALDH1A1ALOX12HPGDHTTLMNA
Urea SCHEMBL4339122 0.79 ALDH1A1 (0.42) ALDH1A1ALOX12HPGDHTTLMNA
Pyrrole SCHEMBL28190457 0.78 ALDH1A1 (0.41) ALDH1A1ALOX12HPGDHTTLMNA
SCHEMBL9780906 0.75 ALDH1A1 (0.48) ALDH1A1ALOX12HPGDHTTLMNA
SCHEMBL28827410 0.75 ALDH1A1 (0.48) ALDH1A1ALOX12HPGDHTTLMNA
SCHEMBL7175457 0.74 NPY5R (0.40) LMNAKMT2ABCL2MCL1PTGS1

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 ALDH1A1 1963/4885ALOX12 3125/4885HPGD 608/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885ALOX12 4772/4885HPGD 1282/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885ALOX12 4480/4885HPGD 885/4885
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 ALDH1A1 1610/4885ALOX12 2334/4885HPGD 539/4885

“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.