SCHEMBL16200092

SCHEMBL16200092

COc1cc(C)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.44
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 2/20 0.37
HTR7 P34969 1/20 0.36
KDM1A O60341 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.35
MAPT P10636 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
SCHEMBL12216028 0.90 TUBB1 (0.44) TUBB1TAAR1LMNAMAPK1HTT
SCHEMBL8251250 0.87 ACHE (0.42) TUBB1TAAR1LMNAMAPK1HTT
SCHEMBL15576975 0.87 TUBB1 (0.50) TUBB1TAAR1LMNAMAPK1HTT
SCHEMBL7720468 0.85 TAAR1 (0.50) TUBB1TAAR1ACHEPOLBGAA
SCHEMBL18481797 0.84 LMNA (0.45) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL5354313 0.82 TUBB1 (0.37) TUBB1TAAR1LMNAMAPK1HTT
Ammonia Solution, Strong SCHEMBL2235229 0.81 LMNA (0.43) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL2001415 0.81 LMNA (0.43) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL2937347 0.81 LMNA (0.46) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL19072921 0.80 TAAR1 (0.45) TUBB1TAAR1LMNAMAPK1HTT

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
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023020209-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-23 WO disclosed
US-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses UNIVERSITE DE CAEN NORMANDIE (FR) 2021-11-04 US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 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-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses MPG, MGLL, GANC TUBB1 2257/4885TAAR1 4214/4885LMNA 1897/4885

“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.