SCHEMBL4264208

SCHEMBL4264208

CC(CCC1=CCC(=O)CC1=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GABRR1 P24046 2/20 0.35
LTA4H P09960 1/20 0.33
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL11105254 0.67 LTB4R (0.40) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL5139179 0.64 GABRR1 (0.72) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL264775 0.61 TSHR (0.68) TSHR
SCHEMBL473576 0.61 TSHR (0.68) TSHR
SCHEMBL1073143 0.61 TSHR (0.68) TSHR
SCHEMBL12670558 0.61 TSHR (0.68) TSHR
Phosphine SCHEMBL27480220 0.60 TSHR (0.66) TSHR
SCHEMBL24773894 0.59 TSHR (0.46) CYP1A2GABRR1LMNATSHR
SCHEMBL17590311 0.59 TSHR (0.50) CYP1A2GABRR1TSHR
SCHEMBL25181550 0.59 TSHR (0.50) CYP1A2GABRR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-11 US disclosed
US-8778940-B2 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-06 US disclosed
US-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 US disclosed
WO-2008046072-A2 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-17 WO 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-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 CYP1A2 2309/4885GABRR1 348/4885LTA4H 2856/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 CYP1A2 2309/4885GABRR1 348/4885LTA4H 2856/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 CYP1A2 2309/4885GABRR1 348/4885LTA4H 2856/4885

“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.