SCHEMBL4447719

SCHEMBL4447719

CCC(C)(C)c1ccc(CC(C)C=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.74
TSHR P16473 1/20 0.74
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 1/20 0.39
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL11468905 0.86 TP53 (0.69) TP53TSHRADORA3CHRM1DRD3
SCHEMBL13453994 0.85 TP53 (1.00) TP53TSHRACACBPOLBCOPS5
SCHEMBL81866 0.85 TP53 (1.00) TP53TSHRACACBPOLBCOPS5
SCHEMBL16880397 0.85 TP53 (1.00) TP53TSHRACACBPOLBCOPS5
SCHEMBL21176929 0.84 TP53 (0.72) TP53TSHRADORA3CHRM1DRD3
SCHEMBL11553698 0.84 TP53 (0.72) TP53TSHRADORA3CHRM1DRD3
SCHEMBL11463307 0.83 TP53 (0.66) TP53TSHRADORA3CHRM1DRD3
SCHEMBL11460361 0.82 TP53 (0.64) TP53TSHRADORA3CHRM1DRD3
SCHEMBL9815067 0.82 TSHR (0.74) TP53TSHRLMNAESR1ESR2
Benzene SCHEMBL28938992 0.82 TP53 (0.93) TP53TSHRMAPTACACBCOPS5

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279749-B Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2022-06-07 CN claimed
CN-112279749-A Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2021-01-29 CN claimed
US-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2009-05-21 US claimed
EP-2007742-A1 PROCESS FOR PRODUCING 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND CIS-4-{3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPYL}-2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) Galderma S.A. (CH) 2008-12-31 EP claimed
WO-2007113218-A1 PROCESS FOR PRODUCING 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND CIS-4-{3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPYL}-2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2007-10-11 WO claimed
EP-1842848-A1 Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine) Galderma S.A. (CH) 2007-10-10 EP claimed
CN-112279749-B Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2022-06-07 CN disclosed
CN-112279749-B Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2022-06-07 CN disclosed
CN-112279749-A Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2021-01-29 CN disclosed
CN-112279749-A Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2021-01-29 CN disclosed
US-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2009-05-21 US disclosed
US-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2009-05-21 US disclosed
US-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2009-05-21 US disclosed
EP-1842848-A1 Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine) Galderma S.A. (CH) 2007-10-10 EP disclosed
EP-1842848-A1 Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine) Galderma S.A. (CH) 2007-10-10 EP disclosed
EP-1842848-A1 Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine) Galderma S.A. (CH) 2007-10-10 EP disclosed
EP-0024334-B1 MORPHOLINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-07-20 EP disclosed
EP-0024334-A1 Morpholine derivatives, process for their production, pharmaceutical preparations containing these derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-03-04 EP disclosed
US-4202894-A AGRICULTURE HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed
EP-0005541-A2 Substituted piperidine, morpholine or piperidone derivatives, fungicides containing these compounds, process for their preparation and their use, and the use of these compounds as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-28 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 (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-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) PDK2, EML4, DEK TP53 3389/4885TSHR 4211/4885ADORA3 3187/4885

“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.