SCHEMBL4625810

SCHEMBL4625810

CCCCCC(CC(C)=O)C(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
CA2 P00918 1/20 0.41
CA1 P00915 2/20 0.39
FFAR1 O14842 2/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
FDPS P14324 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL1479671 0.78 ZDHHC7 (0.39) GPR84CA2CA1FFAR1
Hexane SCHEMBL6816825 0.76 ALDH1A1 (0.42) GPR84PPARD
Hexane SCHEMBL3117746 0.76 ALDH1A1 (0.42) GPR84PPARD
SCHEMBL4347772 0.76 GPR84 (0.44) GPR84CA2FFAR1MAPTLCK
SCHEMBL5999707 0.75 TSHR (0.44) GPR84CA2FFAR1MAPTFDPS
SCHEMBL27495922 0.74 GPR84 (0.44) GPR84CA1FFAR1MAPTFFAR4
SCHEMBL9365266 0.74 LMNA (0.50) GPR84CA2CA1FFAR1MAPT
Hexane SCHEMBL299439 0.74 LMNA (0.50) GPR84CA2CA1FFAR1MAPT
Hexane SCHEMBL8676368 0.74 LMNA (0.50) GPR84CA2CA1FFAR1MAPT
Hexane SCHEMBL2810416 0.74 LMNA (0.50) GPR84CA2CA1FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315242-A Removal method of colloid and pigment in crude paclitaxel product CHONGQING ZHENYUAN HONGDOUSHAN DEV CO LTD 2016-02-10 CN claimed
EP-2753607-B1 BICYCLO[6.1.0]NON-4-YNE REAGENTS FOR CHEMICAL MODIFICATION OF OLIGONUCLEOTIDES BERRY AND ASSOCIATES INC (US) 2016-04-13 EP disclosed
CN-105315242-A Removal method of colloid and pigment in crude paclitaxel product CHONGQING ZHENYUAN HONGDOUSHAN DEV CO LTD 2016-02-10 CN disclosed
WO-2013036748-A1 BICYCLO[6.1.0]NON-4-YNE REAGENTS FOR CHEMICAL MODIFICATION OF OLIGONUCLEOTIDES BERRY, LANA, L. (US) 2013-03-14 WO disclosed
US-20130066063-A1 BICYCLO[6.1.0]NON-4-YNE REGENTS FOR CHEMICAL MODIFICATION OF OLIGONUCLEOTIDES BERRY AND ASSOCIATES, INC. 2013-03-14 US disclosed
EP-1181299-B1 C-2 MODIFIED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2008-06-18 EP disclosed
US-20020193320-A1 C-2 modified erythromycin derivatives ABBOTT LABORATORIES 2002-12-19 US disclosed
US-6355620-B1 ANTIBIOTIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES 2002-03-12 US disclosed
EP-1181299-A1 C-2 MODIFIED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2002-02-27 EP disclosed
WO-2000069875-A9 C-2 MODIFIED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2002-02-21 WO disclosed
WO-2000069875-A1 C-2 MODIFIED ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2000-11-23 WO disclosed
US-6090332-A Process of changing the refractive index of a composite containing a polymer and a compound having large dipole moment and polarizability and applications thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 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-20130066063-A1 BICYCLO[6.1.0]NON-4-YNE REGENTS FOR CHEMICAL MODIFICATION OF OLIGONUCLEOTIDES NSUN2, BCDIN3D, YBX1 GPR84 3659/4885CA2 3491/4885CA1 3165/4885
US-20020193320-A1 C-2 modified erythromycin derivatives CYP2D6, CYP1A2, CYP2B6 GPR84 3395/4885CA2 1235/4885CA1 4642/4885

“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.