SCHEMBL12869178

SCHEMBL12869178

CC1(C)CC(=O)C=C(N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
MAPT P10636 2/20 0.85
HPGD P15428 1/20 0.85
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
APOBEC3A P31941 4/20 0.45
APOBEC3G Q9HC16 4/20 0.45
LMNA P02545 4/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 5/20 0.44
NR2F2 P24468 2/20 0.44
NOD2 Q9HC29 1/20 0.44
GALR3 O60755 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MITF O75030 1/20 0.40

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
SCHEMBL15431904 0.93 ALDH1A1 (0.86) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL24415299 0.92 MAPT (0.93) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23229431 0.92 MAPT (1.00) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL5970126 0.90 MAPT (0.96) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL15448164 0.88 ALDH1A1 (0.77) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL19308592 0.88 ALDH1A1 (0.77) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL10724563 0.87 ALDH1A1 (1.00) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL12618676 0.87 ALDH1A1 (0.77) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL24415315 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL10724455 0.82 ALDH1A1 (0.88) ALDH1A1MAPTHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701695-B1 MEROCYANINE DERIVATIVES FOR COSMETIC USE BASF SE (DE) 2016-04-20 EP disclosed
US-7893292-B2 Merocyanine derivatives for cosmetic use BASF SE (DE) 2011-02-22 US disclosed
US-7893292-B2 Merocyanine derivatives for cosmetic use BASF SE (DE) 2011-02-22 US disclosed
US-20090175809-A1 Merocyanine derivatives for cosmetic use BASF SE (DE) 2009-07-09 US disclosed
US-20090175809-A1 Merocyanine derivatives for cosmetic use BASF SE (DE) 2009-07-09 US disclosed
US-7504528-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2009-03-17 US disclosed
US-7504528-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2009-03-17 US disclosed
US-20080124285-A1 Merocyanine Derivatives for Cosmetic Use CIBA SPECIALTY CHEMICALS CORP. 2008-05-29 US disclosed
US-20080124285-A1 Merocyanine Derivatives for Cosmetic Use CIBA SPECIALTY CHEMICALS CORP. 2008-05-29 US 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-20090175809-A1 Merocyanine derivatives for cosmetic use C1R, C5, C1S ALDH1A1 2095/4885MAPT 3769/4885HPGD 2361/4885
US-20080124285-A1 Merocyanine Derivatives for Cosmetic Use CRY1, ERCC1, ERCC5 ALDH1A1 66/4885MAPT 1765/4885HPGD 634/4885

“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.