SCHEMBL2850041

SCHEMBL2850041

CC(C)CCC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
FPR2 P25090 1/20 0.33
PYCR1 P32322 1/20 0.33
MAOA P21397 1/20 0.32
CYP2A6 P11509 1/20 0.32
SHBG P04278 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL25865911 0.80 SHBG (0.53) LMNASHBGKMT2AALDH1A1MEN1
SCHEMBL10179398 0.80 MEN1 (0.48) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL21504867 0.80 MAPT (0.46) MAPTKMT2AALDH1A1MEN1ESR1
SCHEMBL6681496 0.79 TAAR1 (0.50) KMT2AALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL12981654 0.77 ESR1 (0.40) SHBGTP53TSHRESR1ESR2
SCHEMBL17718567 0.77 LMNA (0.41) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL16823983 0.77 CNR2 (0.42) CYP2A6SHBGALDH1A1POLBTP53
SCHEMBL8122229 0.76
SCHEMBL8960093 0.76 PTPN1 (0.35) CYP2C9
SCHEMBL2849373 0.76 CES2 (0.42) MAPTSMN1; SMN2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
EP-1753747-B1 5,6-DIPHENYL-1,2,4-TRIAZINIC DIMERIC DERIVATIVES AND THE USE THEREOF IN THE FORM OF SUN-PROTECTIVE AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2010-01-13 EP disclosed
EP-1753747-B1 5,6-DIPHENYL-1,2,4-TRIAZINIC DIMERIC DERIVATIVES AND THE USE THEREOF IN THE FORM OF SUN-PROTECTIVE AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2010-01-13 EP disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 US disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 US disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 US disclosed
US-5516904-A SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS ALLERGAN, INC. (US) 1996-05-14 US disclosed
EP-0436398-B1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN INC (US) 1996-01-31 EP disclosed
US-5414007-A Skin disorders ALLERGAN, INC. (US) 1995-05-09 US disclosed
US-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5264456-A Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents ALLERGAN, INC. (US) 1993-11-23 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed
US-5175185-A Antiacne agents ALLERGAN, INC. (US) 1992-12-29 US disclosed
EP-0436398-A1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN, INC. (US) 1991-07-10 EP disclosed
US-5013744-A Skin disorders ALLERGAN, INC. (US) 1991-05-07 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-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair TYR, H1-0, TELO2 HTT 399/4885ATM 3727/4885NPSR1 3388/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR HTT 1154/4885ATM 1555/4885NPSR1 2390/4885

“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.