SCHEMBL5952871

SCHEMBL5952871

CCCCB(CCCC)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.63
DNM1 Q05193 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.36
HTT P42858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
LPL P06858 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL29022390 0.93 PCSK9 (0.55) PCSK9DNM1TDP1LTA4HMEN1
SCHEMBL8527043 0.85 PCSK9 (0.50) PCSK9DNM1TDP1MEN1KMT2A
Magnesium SCHEMBL10419400 0.85 PCSK9 (0.49) PCSK9LIPGLPLSIGMAR1
SCHEMBL6663731 0.81 PCSK9 (0.63) PCSK9DNM1TDP1LTA4HMEN1
Phenyl Butyl Borinic Acid SCHEMBL12270701 0.77 PCSK9 (1.00) PCSK9PTGS2LIPGLPL
SCHEMBL5710442 0.74 PCSK9 (0.55) PCSK9DNM1TDP1LTA4HMEN1
SCHEMBL333263 0.74 PCSK9 (0.43) PCSK9TDP1MEN1KMT2ATP53
SCHEMBL23367835 0.73 PCSK9 (0.53) PCSK9DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL1267872 0.73 PCSK9 (0.35) PCSK9TDP1MEN1KMT2AMAPK1
SCHEMBL18773939 0.73 PCSK9 (0.53) PCSK9DNM1TDP1LTA4HMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019113602-A1 HIGHLY EFFICIENT FREE RADICAL PHOTOPOLYMERIZATIONS THROUGH ENABLED DARK CURE THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2019-06-13 WO disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
EP-1086996-B1 Resin for use in an antifouling coating and antifouling coating NIPPON PAINT CO LTD (JP) 2004-07-28 EP disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
US-6462102-B1 POLYMER FROM UNSATURATED MONOMERS HAVING SIDE CHAIN GROUPS CONTAINING TRISUBSTITUTED BORANE AMINES AND/OR 2-PYRIDINE-THIOL METAL AMINES; LOW TOXICITY; SUSTAINED RELEASE NIPPON PAINT CO., LTD. (JP) 2002-10-08 US disclosed
EP-1086996-A1 Resin for use in an antifouling coating and antifouling coating Nippon Paint Co., Ltd. (JP) 2001-03-28 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 (4 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX PCSK9 1770/4885DNM1 3704/4885TDP1 416/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 PCSK9 4292/4885DNM1 4238/4885TDP1 403/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A PCSK9 3742/4885DNM1 4428/4885TDP1 3788/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PCSK9 3869/4885DNM1 4159/4885TDP1 3321/4885

“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.