SCHEMBL17835019

SCHEMBL17835019

Cc1cc(C(C)(C)C)cc(C)c1Nc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 12/20 0.57
HTR1D P28221 3/20 0.53
HTR1B P28222 2/20 0.53
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL14981045 0.85 RAPGEF4 (0.59) RAPGEF4HTR1DHTR1BPOLB
SCHEMBL22051001 0.82 RAPGEF4 (0.55) RAPGEF4HTR1DHTR1BPOLBTSHR
SCHEMBL25154012 0.81 POLB (0.48) RAPGEF4HTR1DHTR1BPOLBTSHR
SCHEMBL15312216 0.80 RAPGEF4 (0.49) RAPGEF4HTR1DHTR1BTSHRHPGD
SCHEMBL20404366 0.80 RAPGEF4 (0.70) RAPGEF4HTR1DHTR1BTSHRHPGD
SCHEMBL8664743 0.79 POLB (0.57) HTR1DHTR1BPOLBTSHRHPGD
SCHEMBL19194234 0.79 POLB (0.46) RAPGEF4HTR1DHTR1BPOLBTSHR
Hydrochloric Acid SCHEMBL26097882 0.77 POLB (0.56) RAPGEF4HTR1DHTR1BPOLBTSHR
SCHEMBL3220409 0.77 RAPGEF4 (0.50) RAPGEF4HTR1DHTR1BPOLBHPGD
SCHEMBL12251281 0.74 POLB (0.52) HTR1DHTR1BPOLBTSHRHPGD

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
US-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
EP-3230403-B1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2019-10-09 EP disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 US disclosed
WO-2016091353-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2016-06-16 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 (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-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 RAPGEF4 4455/4885HTR1D 2175/4885HTR1B 1425/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 RAPGEF4 4455/4885HTR1D 2175/4885HTR1B 1425/4885

“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.