SCHEMBL22010094

SCHEMBL22010094

CC(C)(C)CC(C)(C)c1cc(CCN)cc(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
TAAR1 Q96RJ0 6/20 0.39
HTR1D P28221 1/20 0.38
HTR2A P28223 5/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 2/20 0.34
CYP1A2 P05177 1/20 0.34
IDH1 O75874 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL22198096 0.79 HTR1D (0.59) TAAR1HTR1DHTR2AHTR2CHTR2B
SCHEMBL22008883 0.75 TAAR1 (0.41) SHBGTAAR1CYP3A4ALDH1A1ALOX15
SCHEMBL626371 0.70 TAAR1 (0.64) TAAR1HTR2A
SCHEMBL9638515 0.70 SHBG (0.45) SHBGCYP3A4ALDH1A1CYP2C9ALOX15
SCHEMBL29560219 0.70 SHBG (0.61) SHBGCYP3A4ALDH1A1CYP2C9ALOX15
SCHEMBL11179954 0.70 SHBG (0.45) SHBGCYP3A4ALDH1A1CYP2C9ALOX15
Hydrochloric Acid SCHEMBL1970957 0.68 TAAR1 (0.62) TAAR1HTR2A
SCHEMBL13755070 0.68 POLB (0.54) SHBGHTR1DCYP3A4ALDH1A1CYP2C9
SCHEMBL9125381 0.68 SHBG (0.48) SHBGTAAR1HTR2ACYP3A4CYP2A6
SCHEMBL30208215 0.67 NPC1 (0.37) CYP2C9SMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220140246-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES CUBIC PEROVSKITE LLC 2022-05-05 US disclosed
US-20200161127-A1 Enhanced Perovskite Materials for Photovoltaic Devices CUBICPV INC. 2020-05-21 US disclosed
US-20200157125-A1 Enhanced Perovskite Materials for Photovoltaic Devices CUBICPV INC. 2020-05-21 US 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-20200157125-A1 Enhanced Perovskite Materials for Photovoltaic Devices ZFX, ZYX, CXXC5 SHBG 1426/4885TAAR1 880/4885HTR1D 3089/4885
US-20220140246-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES NBAS, TNK1, NME1 SHBG 4294/4885TAAR1 1535/4885HTR1D 1067/4885
US-20200161127-A1 Enhanced Perovskite Materials for Photovoltaic Devices ZYX, ZFX, CXXC5 SHBG 1697/4885TAAR1 710/4885HTR1D 3553/4885

“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.