Isopropylbenzene

Isopropylbenzene

SCHEMBL15519354

CC(C)c1ccccc1.Cc1ccccc1Oc1ccccc1C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
AR P10275 3/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HRH1 P35367 2/20 0.44
OPRM1 P35372 2/20 0.44

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
SCHEMBL13995152 0.84 ALDH1A1 (0.49) SCN4ATSHRKMT2AMEN1NPC1
Isopropylbenzene SCHEMBL9035997 0.82 TSHR (0.56) SCN4ATSHRCYP2D6LMNAALDH1A1
Isopropylbenzene SCHEMBL8569358 0.82 TSHR (0.56) SCN4ATSHRCYP2D6LMNAALDH1A1
SCHEMBL127000 0.82 TSHR (0.65) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL29637724 0.82 TSHR (0.65) TSHRKMT2AMEN1NPC1RAB9A
Isopropylbenzene SCHEMBL28108311 0.80 TSHR (0.53) SCN4ATSHRCYP2D6LMNAKDM4E
Isopropylbenzene SCHEMBL27810322 0.80 TSHR (0.53) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL13255810 0.80 CASP1 (0.46) TSHRKMT2AMEN1NPC1RAB9A
Phosphine SCHEMBL22634020 0.79 TSHR (0.62) TSHRKMT2AMEN1NPC1RAB9A
Fluoride SCHEMBL27757467 0.79 TSHR (0.62) TSHRKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399930-B2 Purification method of aldehyde compound MITSUI CHEMICALS, INC. (JP) 2019-09-03 US disclosed
US-10399929-B2 Purification method of aldehyde compound MITSUI CHEMICALS, INC. (JP) 2019-09-03 US disclosed
EP-2708527-B1 ALDEHYDE COMPOUND PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2019-03-20 EP disclosed
EP-2918576-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND MITSUI CHEMICALS INC (JP) 2018-10-10 EP disclosed
EP-2918575-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND MITSUI CHEMICALS INC (JP) 2018-09-05 EP disclosed
EP-2918577-B1 METHOD FOR OBTAINING A PURIFIED ALDEHYDE COMPOUND MITSUI CHEMICALS INC (JP) 2018-07-25 EP disclosed
US-20180093945-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2018-04-05 US disclosed
US-20180093944-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2018-04-05 US disclosed
US-9809533-B2 Purification method of aldehyde compound MITSUI CHEMICALS, INC. (JP) 2017-11-07 US disclosed
US-9487475-B2 Preparation method of aldehyde compound with limited amount of acrylonitrile MITSUI CHEMICALS, INC. (JP) 2016-11-08 US disclosed
US-9475760-B2 Preparation method of aldehyde compound using a metal compound and a phosphorus compound MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9227925-B2 Process for producing aldehyde compounds MITSUI CHEMICALS, INC. (JP) 2016-01-05 US disclosed
US-20150299109-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2015-10-22 US disclosed
US-20150299108-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2015-10-22 US disclosed
US-20150291513-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2015-10-15 US disclosed
EP-2918576-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND Mitsui Chemicals, Inc. (JP) 2015-09-16 EP disclosed
EP-2918575-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND Mitsui Chemicals, Inc. (JP) 2015-09-16 EP disclosed
EP-2918577-A1 METHOD FOR PURIFYING ALDEHYDE COMPOUND Mitsui Chemicals, Inc. (JP) 2015-09-16 EP disclosed
US-20140088321-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2014-03-27 US disclosed
EP-2708527-A1 ALDEHYDE COMPOUND PRODUCTION METHOD Mitsui Chemicals, Inc. (JP) 2014-03-19 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 (8 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-20180093945-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND CA6, CA2, CA9 SCN4A 870/4885TSHR 3976/4885KMT2A 482/4885
US-20140088321-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUNDS ALDH1A1, ALDH1B1, ALDH5A1 SCN4A 2936/4885TSHR 4745/4885KMT2A 648/4885
US-20180093944-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND CA2, CA9, CA6 SCN4A 1187/4885TSHR 2614/4885KMT2A 427/4885
US-20150299109-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND ALDH1A1, ALDH1B1, ALDH16A1 SCN4A 1442/4885TSHR 4728/4885KMT2A 2713/4885
US-10399929-B2 Purification method of aldehyde compound CA2, CA9, CA6 SCN4A 1187/4885TSHR 2614/4885KMT2A 427/4885
US-20150299108-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND ALDH1A1, ALDH1B1, ALDH5A1 SCN4A 3465/4885TSHR 4104/4885KMT2A 922/4885
US-10399930-B2 Purification method of aldehyde compound CA6, CA2, CA9 SCN4A 870/4885TSHR 3976/4885KMT2A 482/4885
US-20150291513-A1 PURIFICATION METHOD OF ALDEHYDE COMPOUND CA6, CA2, CA1 SCN4A 1537/4885TSHR 2687/4885KMT2A 1107/4885

“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.