SCHEMBL3928038

SCHEMBL3928038

Cc1cc(C)c(-c2ccc(Br)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.50
ALDH1A1 P00352 4/20 0.48
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL6382158 0.85 ALDH1A1 (0.40) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL1044722 0.82 MEN1 (0.47) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL23369619 0.78 RAPGEF4 (0.38) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL20595546 0.78 RAPGEF4 (0.38) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL13312937 0.78 MAOA (0.47) ALDH1A1IKBKBCHUKSMN1; SMN2NPC1
SCHEMBL24608797 0.77 ALDH1A1 (0.38) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL17180546 0.76 PSMB5 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL23735474 0.76 ALDH1A1 (0.36) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL2843928 0.76 ALDH1A1 (0.40) RAPGEF4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL2846017 0.76 SENP1 (0.54) RAPGEF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271332-A Organic compound and display panel 武汉华星光电半导体显示技术有限公司 2024-07-02 CN disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 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 (1 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN RAPGEF4 1624/4885ALDH1A1 1508/4885IKBKB 3586/4885

“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.