SCHEMBL503763

SCHEMBL503763

O=C(O)CCCc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SRD5A1 P18405 1/20 0.53
SRD5A2 P31213 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL11707166 0.93 AKR1B1 (0.52) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL24440105 0.90 CYP1A2 (0.56) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11701595 0.89 AKR1B1 (0.51) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11706524 0.88 MAPT (0.51) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL1115123 0.84 CYP1A2 (0.56) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL14710258 0.81 AKR1B1 (0.61) SRD5A1SRD5A2MAPTRAB9AMITF
SCHEMBL27426495 0.80 SRD5A2 (0.57) CYP1A2MAPK1SMN1; SMN2SRD5A2FFAR4
SCHEMBL9145294 0.80 SRD5A1 (0.45) SRD5A1SRD5A2RAB9AMITFHSP90AA1
SCHEMBL27717299 0.79 MAPT (0.46) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8458964 0.78 SRD5A1 (0.49) MAPK1SMN1; SMN2SRD5A1SRD5A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435718-B2 Upper layer-forming composition and photoresist patterning method JSR CORPORATION (JP) 2013-05-07 US disclosed
US-20120028198-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2012-02-02 US disclosed
US-20100003615-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2010-01-07 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed
EP-1950610-A1 COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR Corporation (JP) 2008-07-30 EP disclosed
US-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-5428065-A Treating central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1995-06-27 US disclosed
EP-0645370-A1 Substituted m-xylylene diamines for the treatment of diseases of the central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-03-29 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 (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-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof PIN1, PREP, PIN4 CYP1A2 3646/4885HDAC3 819/4885MAPK1 681/4885
US-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 CYP1A2 4480/4885HDAC3 625/4885MAPK1 2074/4885

“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.