SCHEMBL12767970

SCHEMBL12767970

CC(C)c1ccc(C(C)(C)C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CRHR1 P34998 3/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RNASEH1 O60930 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TYR P14679 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL11218126 0.82 ALDH1A1 (0.33) LMNAALDH1A1HTTCYP1A2CYP2C9
SCHEMBL11436395 0.77 LMNA (0.48) LMNATRPA1PTGS1CACNA1CGAA
P-Cymene SCHEMBL2239767 0.76 LMNA (0.36) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL10267400 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL21666380 0.75 ALDH1A1 (0.53) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL31305634 0.75 TRPA1 (0.55) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL20028558 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL19542869 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL2791357 0.75 TRPA1 (0.55) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL6895537 0.75 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 — — US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 — — US disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 — — US disclosed
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2013-08-22 — — US disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 — — US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 — — US disclosed
WO-2010151797-A2 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2010-12-29 — — 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 (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-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 LMNA 2017/4885TRPA1 754/4885PTGS1 1866/4885
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 LMNA 4685/4885TRPA1 966/4885PTGS1 982/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 LMNA 2017/4885TRPA1 754/4885PTGS1 1866/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 LMNA 4685/4885TRPA1 966/4885PTGS1 982/4885

“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.

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