SCHEMBL5399458

SCHEMBL5399458

c1ccc2c(c1)-c1ccc3c(c1-2)CC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.38
AKR1B1 P15121 2/20 0.37
PARP1 P09874 1/20 0.36
DYRK1A Q13627 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SETD7 Q8WTS6 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL4283299 0.75 ALDH1A1 (0.47) CES1AKR1B1TDP1L3MBTL1KDM4E
SCHEMBL10620631 0.74 PRCP (0.41) PARP1LMNAMAPTPRCP
SCHEMBL5713328 0.74 MAPT (0.42) CES1SRD5A2KDM4ENPC1ALDH1A1
SCHEMBL9719463 0.72 KDM4E (0.34) SRD5A2KDM4ENPC1ALDH1A1LMNA
SCHEMBL3674268 0.68 CES1 (0.36) CES1PARP1KDM4EALDH1A1LMNA
SCHEMBL333453 0.68 CES1 (0.36) CES1PARP1KDM4EALDH1A1LMNA
SCHEMBL6256070 0.67 MYC (0.50) L3MBTL1SRD5A1SRD5A2KDM4ENPC1
SCHEMBL7464957 0.67 AKR1B1 (0.33) CES1AKR1B1DYRK1AALDH1A1LMNA
SCHEMBL8941775 0.67 CYP2A6 (0.47) CES1AKR1B1PARP1DYRK1AL3MBTL1
SCHEMBL30436624 0.66 CES1 (0.65) CES1PARP1TDP1L3MBTL1SRD5A1

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
US-5416233-A Preparation of vinylsilane-benzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1995-05-16 US claimed
US-7164036-B2 Benzophenone compound and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-01-16 US disclosed
US-7125443-B2 Lightfast colorant and lightfast ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-10-24 US disclosed
US-7125442-B2 Lightfast additive having UV-absorbing moiety and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-10-24 US disclosed
US-20040237837-A1 Lightfast additive having UV-absorbing moiety and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-12-02 US disclosed
US-20040237836-A1 Benzophenone compound and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-12-02 US disclosed
US-20040182279-A1 Lightfast colorant and lightfast ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-09-23 US disclosed
US-5567835-A Preparation of a vinylsiloxane-benzocylobutene from a hydrolyzable vinylsilane-benzocylobutene THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed
US-5416233-A Preparation of vinylsilane-benzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1995-05-16 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 (3 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-20040182279-A1 Lightfast colorant and lightfast ink composition including the same RB1, CDK4, CDKL4 CES1 3751/4885AKR1B1 3749/4885PARP1 1352/4885
US-20040237837-A1 Lightfast additive having UV-absorbing moiety and ink composition including the same CDK4, CDKL4, UGT1A4 CES1 4161/4885AKR1B1 4079/4885PARP1 1539/4885
US-20040237836-A1 Benzophenone compound and ink composition including the same BRAP, RB1, NAP1L4 CES1 3872/4885AKR1B1 4073/4885PARP1 2937/4885

“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.