SCHEMBL13614977

SCHEMBL13614977

CCCCC[C@H]1CC[C@H](C2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 1/20 0.34
TP53 P04637 1/20 0.34
LSS P48449 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL17147739 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9154040 0.92 CYP1A2 (0.45) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL22166115 0.92 CYP1A2 (0.45) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL22457914 0.92 CYP1A2 (0.45) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9154047 0.92 CYP1A2 (0.45) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL19304387 0.88 CYP1A2 (0.54) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9151281 0.87 ALDH1A1 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL9151284 0.87 ALDH1A1 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL9151287 0.87 ALDH1A1 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL6058639 0.86 TLR4 (0.36) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166816-A1 PHOTOREACTIVE LIQUID CRYSTAL COMPOSITION, DISPLAY ELEMENT, OPTICAL ELEMENT, METHOD FOR MANUFACTURING DISPLAY ELEMENT, AND METHOD FOR MANUFACTURING OPTICAL ELEMENT UNIVERSITY OF HYOGO (JP) 2017-06-15 US disclosed
US-7615262-B2 Liquid crystal material, method for producing liquid crystal material and liquid crystal device JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-11-10 US disclosed
US-7615262-B2 Liquid crystal material, method for producing liquid crystal material and liquid crystal device JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-11-10 US disclosed
US-20080266512-A1 Liquid Crystal Material, Method for Producing Liquid Crystal Material and Liquid Crystal Device JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
US-20080266512-A1 Liquid Crystal Material, Method for Producing Liquid Crystal Material and Liquid Crystal Device JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 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 (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-20080266512-A1 Liquid Crystal Material, Method for Producing Liquid Crystal Material and Liquid Crystal Device XDH, NLK, OR10J3 CYP1A2 1810/4885PKM 2902/4885HTT 4801/4885

“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.