SCHEMBL2810168

SCHEMBL2810168

CC(=Cc1ccccc1)C=C(C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.58
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
AKR1C1 Q04828 1/20 0.47
CYP2C9 P11712 3/20 0.46
RECQL P46063 2/20 0.46
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
FBP1 P09467 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL1231562 1.00 AKR1C3 (0.70) AKR1C3ALDH1A1TSHRHTTMAPT
Styrene SCHEMBL18587737 0.91 AKR1C3 (0.59) AKR1C3ALDH1A1TSHRHTTMAPT
SCHEMBL906197 0.84 AKR1C3 (0.70) AKR1C3ALDH1A1TSHRHTTNPC1
SCHEMBL9577533 0.84 AKR1C3 (0.70) AKR1C3ALDH1A1TSHRHTTNPC1
SCHEMBL16568719 0.83 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTNPC1
SCHEMBL37034 0.83 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTNPC1
SCHEMBL41906 0.83 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTNPC1
SCHEMBL581982 0.83 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTNPC1
Hydrochloric Acid SCHEMBL9445639 0.81 AKR1C3 (0.95) AKR1C3ALDH1A1TSHRHTTNPC1
Ammonia Solution, Strong SCHEMBL6327037 0.81 AKR1C3 (0.95) AKR1C3ALDH1A1TSHRHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012162641-A2 SURFACE COATING SYSTEM AND METHOD OF MAKING AND USING SAME DIVERSEY, INC. (US) 2012-11-29 WO disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-1598067-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
EP-1335898-B1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2005-11-23 EP disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
US-3945831-A Photosensitive resins containing a thienylacrylic acid ester or amide group FUJI PHOTO FILM CO., LTD. (JA) 1976-03-23 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 AKR1C3 225/4885ALDH1A1 1157/4885TSHR 2954/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 AKR1C3 346/4885ALDH1A1 727/4885TSHR 2764/4885

“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.